SCHEMBL5574099

SCHEMBL5574099

[C](=CC=[C]c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.50
TSHR P16473 2/20 0.45
MAPT P10636 2/20 0.38
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
THPO P40225 1/20 0.36
ALDH1A1 P00352 5/20 0.35
CTSD P07339 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
BBOX1 O75936 1/20 0.35
EHMT2 Q96KQ7 1/20 0.35
EHMT1 Q9H9B1 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
GRM5 P41594 1/20 0.35
NPC1 O15118 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL439778 0.83 APP (0.41) APPTSHRMAPTCYP1A2CYP3A4
SCHEMBL1663500 0.83 APP (0.41) APPTSHRMAPTCYP1A2CYP3A4
SCHEMBL3030029 0.83 APP (0.41) APPTSHRMAPTCYP1A2CYP3A4
SCHEMBL3033536 0.79 APP (0.38) APPTSHRMAPT
SCHEMBL27531752 0.77 MAOB (0.56) MAPTCYP1A2CYP2C9ALDH1A1NPC1
SCHEMBL2639345 0.77 APP (0.36) APPTSHRMAPTALDH1A1
SCHEMBL3035853 0.77 APP (0.36) APPTSHR
SCHEMBL28383708 0.77 MAOB (0.56) MAPTCYP1A2CYP2C9ALDH1A1NPC1
SCHEMBL123465 0.75
SCHEMBL5933769 0.75

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 45 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-0912585-A1 METALLOCENE COMPOUNDS BAYER AG (DE) 1999-05-06 EP disclosed
EP-0909284-A1 METHOD FOR PRODUCING THERMOPLASTIC ELASTOMERS BAYER AG (DE) 1999-04-21 EP disclosed
EP-0909281-A1 METHOD FOR PRODUCING ELASTOMERS BAYER AG (DE) 1999-04-21 EP disclosed
EP-0909282-A1 METHOD FOR PRODUCING CYCLOOLEFIN (CO)POLYMERS FOR TECHNICAL APPLICATIONS BAYER AG (DE) 1999-04-21 EP disclosed
WO-1998001487-A9 METHOD FOR PRODUCING ELASTOMERS 1998-07-02 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-1998001484-A1 METHOD FOR PRODUCING CYCLOOLEFIN (CO)POLYMERS FOR TECHNICAL APPLICATIONS BAYER AKTIENGESELLSCHAFT (DE) 1998-01-15 WO disclosed
WO-1998001487-A1 METHOD FOR PRODUCING ELASTOMERS BAYER AKTIENGESELLSCHAFT (DE) 1998-01-15 WO disclosed