SCHEMBL4556660

SCHEMBL4556660

Nc1ccccc1CC1(O)CCCC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
USP2 O75604 1/20 0.39
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 1/20 0.36
FDPS P14324 1/20 0.36
ALOX15 P16050 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DPP4 P27487 1/20 0.33
OPRL1 P41146 2/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
HDAC4 P56524 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
SCHEMBL7101911 0.98 USP2 (0.41) TSHRUSP2CYP3A4CYP2C19FDPS
SCHEMBL7105614 0.98 USP2 (0.41) TSHRUSP2CYP3A4CYP2C19FDPS
SCHEMBL7108350 0.96 FDPS (0.36) TSHRUSP2CYP3A4CYP2C19FDPS
SCHEMBL9957482 0.81 USP2 (0.37) TSHRUSP2CYP3A4CYP2C19
SCHEMBL10614529 0.79 USP2 (0.41) TSHRUSP2DPP4OPRL1OPRM1
SCHEMBL3787650 0.77 MAOA (0.44) CYP3A4CYP2C19ALOX15CASP1CASP7
SCHEMBL10191864 0.76 ALDH1A1 (0.44) TSHRUSP2HDAC4
SCHEMBL10192225 0.76 ALDH1A1 (0.44) TSHRUSP2HDAC4
Ammonia Solution, Strong SCHEMBL14343978 0.76 MAOA (0.42) CYP3A4CYP2C19SIGMAR1
SCHEMBL5348277 0.76 GRIN2B (0.41) TSHRUSP2HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0895992-B1 Copper complexes of optically active bisoxazolines as enantioselective catalysts in cyclopropanation reactions SUMITOMO CHEMICAL CO (JP) 2009-06-10 EP disclosed
EP-0942010-B1 Transition metal compounds, catalyst components and catalysts for olefin polymerization, and process for producing olefinic polymer SUMITOMO CHEMICAL CO (JP) 2003-06-18 EP disclosed
US-6500909-B2 CONTAINING NICKEL, PALLADIUM, RHODIUM, RUTHENIUM, OR COBALT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-12-31 US disclosed
US-6410741-B1 INSECTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-06-25 US disclosed
US-20010027162-A1 Transition metal compound, catalyst component for olefin polymerization, catalyst for olefin polymerization, and process for producing olefinic polymer HIRAHATA WATARU (JP) 2001-10-04 US disclosed
US-6242377-B1 POLYMERIZATION IN PRESENCE OF BISOXAZOLINE WITH NICKEL, COBALT, PALLADIUM, RHODIUM, RUTHENIUM, ALUMINUM AND BORON COMPLEXES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-06-05 US disclosed
US-6072081-A Optically active bisoxazoline compounds, production and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-06-06 US disclosed
EP-0942010-A1 Transition metal compounds, catalyst components and catalysts for olefin polymerization, and process for producing olefinic polymers SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-09-15 EP disclosed
EP-0895992-A2 Copper complexes of optically active bisoxazolines as enantioselective catalysts in cyclopropanation reactions SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-10 EP disclosed