SCHEMBL5837608

SCHEMBL5837608

COC(=O)CCCC1(C(=O)O)CC2C=CC1C2

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
EPHX2 P34913 7/20 0.36
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
EPHX1 P07099 1/20 0.31
ALOX5 P09917 1/20 0.30

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
SCHEMBL5837412 0.92 TSHR (0.33) TSHREPHX2CYP2D6CYP2C19CA12
SCHEMBL5838040 0.89 TSHR (0.37) TSHREPHX2CYP2D6CYP2C19CA12
SCHEMBL5836366 0.85 EPHX2 (0.39) TSHREPHX2CYP2D6CYP2C19CA12
SCHEMBL5837438 0.85 EPHX2 (0.34) TSHREPHX2CYP2D6CYP2C19
SCHEMBL5837166 0.84 CYP2D6 (0.33) EPHX2CYP2D6CYP2C19ALOX5
SCHEMBL5837137 0.83 CYP2D6 (0.35) CYP2D6CYP2C19
SCHEMBL7638350 0.81 CYP2D6 (0.39) CYP2D6CYP2C19
SCHEMBL296683 0.81 CYP2D6 (0.32) CYP2D6CYP2C19
SCHEMBL5837042 0.81 TSHR (0.33) TSHREPHX2CYP2D6CYP2C19ALOX5
SCHEMBL8613885 0.81 CYP2D6 (0.38) CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7037993-B2 Norbornene-based ring-opening polymerization polymer, product of hydrogenation of norbornene-based ring-opening polymerization polymer, and processes for producing these ZEON CORPORATION (JP) 2006-05-02 US disclosed
US-20050148746-A1 Norbornene-based ring-opening polymerization polymer, product of hydrogenation of norbornene-based ring-opening polymerization polymer, and processes for producing these ZEON CORPORATION (JP) 2005-07-07 US disclosed