SCHEMBL5573317

SCHEMBL5573317

[C](=CC=[C]Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.43
CALM1 P0DP23 1/20 0.43
ALDH1A1 P00352 4/20 0.39
TSHR P16473 3/20 0.39
LOXL2 Q9Y4K0 2/20 0.39
TRPA1 O75762 2/20 0.39
IDO1 P14902 2/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 2/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 2/20 0.36
CYP2A6 P11509 1/20 0.36
HTR2A P28223 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6608385 0.79 TSHR (0.42) MAOBCALM1ALDH1A1TSHRLOXL2
SCHEMBL1195145 0.77 MAOB (0.40) MAOBCALM1ALDH1A1TSHRLOXL2
SCHEMBL2241624 0.77 MAOB (0.50) MAOBCALM1ALDH1A1TSHRLOXL2
SCHEMBL2241623 0.77 MAOB (0.50) MAOBCALM1ALDH1A1TSHRLOXL2
SCHEMBL9853133 0.77 MAOB (0.40) MAOBCALM1ALDH1A1TSHRLOXL2
SCHEMBL10428042 0.74 CES2 (0.43) ALDH1A1TAAR1CYP1A2
SCHEMBL3888886 0.73 CALM1 (0.50) MAOBCALM1ALDH1A1TSHRLOXL2
SCHEMBL219176 0.73 ALDH1A1 (0.53) MAOBCALM1ALDH1A1TSHRLOXL2
SCHEMBL8396961 0.72 TP53 (0.41) MAOBCALM1IDO1TP53SMN1; SMN2
SCHEMBL10361972 0.69

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7169865-B2 Transition metal compounds having a donor-acceptor interaction and a specific substitution pattern BAYER AKTIENGESELLSCHAFT (DE) 2007-01-30 US disclosed
US-7169866-B2 Process for preparing homopolymers, copolymers and/or block copolymers by living polymerization with metallocenes having a donor-acceptor interaction BAYER AKTIENGESELLSCHAFT (DE) 2007-01-30 US disclosed
EP-1549683-A1 METHOD FOR PRODUCING HOMOPOLYMERS, COPOLYMERS AND/OR BLOCK COPOLYMERS COMPRISING METALLOCENES WITH A DONOR-ACCEPTOR INTERACTION, ACCORDING TO A LIVING POLYMERISATION PROCESS Lanxess Deutschland GmbH (DE) 2005-07-06 EP disclosed
EP-1546165-A1 TRANSITION METAL COMPOUNDS WITH DONOR-ACCEPTOR INTERACTION AND A SPECIAL SUBSTITUTION PATTERN Lanxess Deutschland GmbH (DE) 2005-06-29 EP disclosed
WO-2004029100-A1 METHOD FOR PRODUCING HOMOPOLYMERS, COPOLYMERS AND/OR BLOCK COPOLYMERS COMPRISING METALLOCENES WITH A DONOR-ACCEPTOR INTERACTION, ACCORDING TO A LIVING POLYMERISATION PROCESS LANXESS DEUTSCHLAND GMBH (DE) 2004-04-08 WO disclosed
WO-2004029065-A1 TRANSITION METAL COMPOUNDS WITH DONOR-ACCEPTOR INTERACTION AND A SPECIAL SUBSTITUTION PATTERN LANXESS DEUTSCHLAND GMBH (DE) 2004-04-08 WO disclosed
US-20040063877-A1 Process for preparing homopolymers, copolymers and/or block copolymers by living polymerization with metallocenes having a donor-acceptor interaction LANXESS DEUTSCHLAND GMBH (DE) 2004-04-01 US disclosed
US-20040059073-A1 Transition metal compounds having a donor-acceptor interaction and a specific substitution pattern LANXESS DEUTSCHLAND GMBH (DE) 2004-03-25 US disclosed
EP-1041086-B1 Supported catalysts with donor-acceptor interaction BAYER AG (DE) 2004-02-18 EP disclosed
EP-1373284-A1 CATALYSTS CHARACTERIZED BY A DONOR-ACCEPTOR INTERACTION Bayer Aktiengesellschaft (DE) 2004-01-02 EP disclosed
EP-0909284-A1 METHOD FOR PRODUCING THERMOPLASTIC ELASTOMERS BAYER AG (DE) 1999-04-21 EP disclosed
WO-1998045339-A1 π-COMPLEX COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 1998-10-15 WO disclosed
WO-1998001487-A9 METHOD FOR PRODUCING ELASTOMERS 1998-07-02 WO disclosed
WO-1998001483-A9 METHOD FOR PRODUCING CYCLOOLEFIN (CO)POLYMERS FOR USE IN OPTICAL DATA MEMORIES 1998-05-14 WO disclosed
WO-1998001484-A9 METHOD FOR PRODUCING CYCLOOLEFIN (CO)POLYMERS FOR TECHNICAL APPLICATIONS 1998-05-07 WO disclosed
WO-1998001486-A9 METHOD FOR PRODUCING THERMOPLASTIC ELASTOMERS 1998-03-26 WO disclosed
WO-1998001455-A1 METALLOCENE COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 1998-01-15 WO disclosed
WO-1998001486-A1 METHOD FOR PRODUCING THERMOPLASTIC ELASTOMERS BAYER AKTIENGESELLSCHAFT (DE) 1998-01-15 WO disclosed
WO-1998001483-A1 METHOD FOR PRODUCING CYCLOOLEFIN (CO)POLYMERS FOR USE IN OPTICAL DATA MEMORIES BAYER AKTIENGESELLSCHAFT (DE) 1998-01-15 WO disclosed
WO-1998001484-A1 METHOD FOR PRODUCING CYCLOOLEFIN (CO)POLYMERS FOR TECHNICAL APPLICATIONS BAYER AKTIENGESELLSCHAFT (DE) 1998-01-15 WO disclosed