SCHEMBL3262995

SCHEMBL3262995

Cc1cc(-c2c(O)c(-c3cc(C)c(C(C)(C)C)cc3C(C)(C)C)c(-c3cc(C)c(C(C)(C)C)cc3C(C)(C)C)c(-c3ccc(O)cc3)c2-c2cc(C)c(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SENP1 Q9P0U3 1/20 0.41
CYP2C9 P11712 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
TYR P14679 3/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
NR1I2 O75469 1/20 0.36
MIF P14174 1/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36
NFE2L2 Q16236 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MGAM O43451 2/20 0.36
GAA P10253 2/20 0.36
SI P14410 2/20 0.36
MGAM2 Q2M2H8 2/20 0.36
CA2 P00918 3/20 0.35
CA1 P00915 1/20 0.35
GABRA1 P14867 1/20 0.35

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
SCHEMBL3262676 0.79 LMNA (0.44) SENP1CYP2C9TYRALDH1A1LMNA
SCHEMBL5154102 0.73 GABRA1 (0.35) CYP2C9CYP1A2CYP2C19TYRALDH1A1
SCHEMBL30686847 0.72
SCHEMBL28390382 0.71 MEN1 (0.31) ESR2
SCHEMBL27432524 0.70 HSD17B10 (0.50) CYP2C9CYP1A2TYRALDH1A1LMNA
SCHEMBL27526925 0.70 ALDH1A1 (0.54) SENP1CYP2C9CYP1A2CYP2C19TYR
SCHEMBL28077434 0.69 TYR (0.48) SENP1CYP2C9CYP1A2CYP2C19TYR
SCHEMBL7858676 0.69 TYR (0.54) SENP1CYP2C9CYP1A2CYP2C19TYR
SCHEMBL7161757 0.68 GABRA1 (0.33) ALDH1A1GABRA1GABRB2
SCHEMBL2111873 0.68

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-20100028576-A1 PROCESS FOR PRODUCING POLYESTER TORAY INDUSTRIES, INC. (JP) 2010-02-04 US disclosed
EP-2083035-A1 PROCESS FOR PRODUCTION OF POLYESTER Toray Industries, Inc. (JP) 2009-07-29 EP disclosed