SCHEMBL6257347

SCHEMBL6257347

CCc1ccc(C2=CC3CCC2C3)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
NISCH Q9Y2I1 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR5 Q9H228 1/20 0.33
EGFR P00533 1/20 0.33
NPC1 O15118 4/20 0.32
RAB9A P51151 4/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP19A1 P11511 1/20 0.32
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL9101137 0.85 PDE3B (0.36) PDE3BPDE3ACYP19A1
SCHEMBL18911211 0.83 CYP19A1 (0.32) CYP19A1
SCHEMBL18911044 0.83 CYP19A1 (0.32) CYP19A1
SCHEMBL18905397 0.80 CYP19A1 (0.31) PDE3BPDE3ACYP19A1
SCHEMBL18911080 0.79 NQO1 (0.44) NPC1RAB9AALDH1A1MAPTKDM4E
SCHEMBL18905537 0.78 SPHK1 (0.31)
SCHEMBL18905436 0.77 PDE3B (0.33) PDE3BPDE3ACYP19A1
SCHEMBL151868 0.77 NPC1 (0.35) PDE3BPDE3ANPC1RAB9AALDH1A1
SCHEMBL18905440 0.76 CYP19A1 (0.32) CYP19A1
SCHEMBL18911042 0.76 CYP2D6 (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268499-B1 METHOD FOR POLYMERIZING POLAR SUBSTITUTED CYCLOALKENES LANXESS DEUTSCHLAND GMBH (DE) 2005-10-12 EP disclosed
US-6891007-B2 Method for polymerizing polar substituted cycloalkenes BAYER AKTIENGESELLSCHAFT (DE) 2005-05-10 US disclosed
US-20030120011-A1 Method for polymerizing polar substituted cycloalkenes LANXESS DEUTSCHLAND GMBH (DE) 2003-06-26 US disclosed
EP-1268499-A1 METHOD FOR POLYMERIZING POLAR SUBSTITUTED CYCLOALKENES Bayer Aktiengesellschaft (DE) 2003-01-02 EP disclosed
EP-0829493-B1 Use of nickel catalysts for polymerisation of cycloolefins BAYER AG (DE) 2002-08-14 EP disclosed
EP-0837079-B1 Palladium-catalyst for polymerisation BAYER AG (DE) 2002-08-14 EP disclosed
US-6433112-B1 COORDINATION POLYMERIZATION CATALYST BAYER AKTIENGESELLSCHAFT (DE) 2002-08-13 US disclosed
EP-1042336-B1 PI-COMPLEX COMPOUNDS BAYER AG (DE) 2002-04-03 EP disclosed
WO-2001072760-A1 METHOD FOR POLYMERIZING POLAR SUBSTITUTED CYCLOALKENES BAYER AKTIENGESELLSCHAFT (DE) 2001-10-04 WO disclosed
US-6232413-B1 USING ORGANOMETALLIC CATALYST BAYER AKTIENGESELLSCHAFT (DE) 2001-05-15 US disclosed
US-6156857-A Method for producing cycloolefin (co)polymers for technical applications BAYER AKTIENGESELLSCHAFT (DE) 2000-12-05 US disclosed
EP-0909282-B1 METHOD FOR PRODUCING CYCLOOLEFIN (CO)POLYMERS FOR TECHNICAL APPLICATIONS BAYER AG (DE) 2000-05-10 EP disclosed
US-6057466-A POLYMERIZATION CATALYSTS BAYER AKTIENGESELLSCHAFT (DE) 2000-05-02 US disclosed
US-6040403-A POLYMERIZATION OF CYCLOOLEFINS BAYER AKTIENGESELLSCHAFT (DE) 2000-03-21 US disclosed
EP-0837079-A2 Palladium-catalyst for polymerisation BAYER AG (DE) 1998-04-22 EP disclosed
EP-0829493-A2 Nickel catalyst for polymerisation BAYER AG (DE) 1998-03-18 EP disclosed