SCHEMBL7101911

SCHEMBL7101911

Nc1ccccc1CC1(O)CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 1/20 0.39
FDPS P14324 1/20 0.35
SIGMAR1 Q99720 1/20 0.33
DPP4 P27487 1/20 0.32
KEAP1 Q14145 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL7105614 1.00 USP2 (0.41) USP2TSHRCYP3A4CYP2C19FDPS
SCHEMBL4556660 0.98 TSHR (0.39) USP2TSHRCYP3A4CYP2C19FDPS
SCHEMBL7108350 0.94 FDPS (0.36) USP2TSHRCYP3A4CYP2C19FDPS
SCHEMBL9957482 0.83 USP2 (0.37) USP2TSHRCYP3A4CYP2C19
SCHEMBL10614529 0.81 USP2 (0.41) USP2TSHRDPP4
SCHEMBL3787650 0.79 MAOA (0.44) CYP3A4CYP2C19ALOX15CASP1CASP7
SCHEMBL10191864 0.78 ALDH1A1 (0.44) USP2TSHR
SCHEMBL10192225 0.78 ALDH1A1 (0.44) USP2TSHR
Ammonia Solution, Strong SCHEMBL14343978 0.78 MAOA (0.42) CYP3A4CYP2C19SIGMAR1
SCHEMBL5348277 0.78 GRIN2B (0.41) USP2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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
US-4155935-A Benzylamine analgesics AMERICAN HOME PRODUCTS CORPORATION (US) 1979-05-22 US disclosed
US-4017637-A Benzylamine analgesics AMERICAN HOME PRODUCTS CORPORATION (US) 1977-04-12 US disclosed
US-3928626-A Benzylamine analgesics AMERICAN HOME PROD 1975-12-23 US disclosed