SCHEMBL7970288

SCHEMBL7970288

Cc1cc(C(C)(CCC(C)(c2cc(C)c(O)c(C(C)(C)C)c2)c2cc(C)c(O)c(C(C)(C)C)c2)c2cc(C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 7/20 0.59
CYP2C19 P33261 6/20 0.59
CYP1A2 P05177 4/20 0.59
SMN1; SMN2 Q16637 5/20 0.48
ALDH1A1 P00352 4/20 0.48
CA2 P00918 3/20 0.48
POLB P06746 1/20 0.48
TYR P14679 1/20 0.48
CA1 P00915 2/20 0.45
HSPA5 P11021 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
HIF1A Q16665 5/20 0.43
HSD17B10 Q99714 2/20 0.42
CYP2D6 P10635 1/20 0.42
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
TP53 P04637 2/20 0.41
TSHR P16473 4/20 0.40
MEN1 O00255 2/20 0.40

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
SCHEMBL6832883 0.86 CYP2C9 (0.57) CYP2C9CYP2C19CYP1A2SMN1; SMN2ALDH1A1
SCHEMBL9859289 0.86 CYP1A2 (0.49) CYP2C9CYP2C19CYP1A2SMN1; SMN2ALDH1A1
SCHEMBL7972245 0.85 ESR1 (0.54) CYP2C9CYP2C19CYP1A2SMN1; SMN2ALDH1A1
SCHEMBL11647833 0.85 CYP2C9 (0.60) CYP2C9CYP2C19CYP1A2SMN1; SMN2ALDH1A1
SCHEMBL92890 0.83 CYP2C9 (0.68) CYP2C9CYP2C19CYP1A2SMN1; SMN2ALDH1A1
SCHEMBL29836296 0.83 CYP2C9 (0.68) CYP2C9CYP2C19CYP1A2SMN1; SMN2ALDH1A1
SCHEMBL9319647 0.81 CYP2C9 (0.65) CYP2C9CYP2C19CYP1A2SMN1; SMN2ALDH1A1
SCHEMBL27810275 0.81 CYP2C9 (0.65) CYP2C9CYP2C19CYP1A2SMN1; SMN2ALDH1A1
SCHEMBL561925 0.79 CYP2C9 (0.53) CYP2C9CYP2C19CYP1A2SMN1; SMN2ALDH1A1
SCHEMBL11698053 0.79 CYP2C9 (0.63) CYP2C9CYP2C19CYP1A2SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6268462-B1 Branched polycarbonate resin and process for the preparation thereof IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2001-07-31 US disclosed
EP-1008608-A1 BRANCHED POLYCARBONATE RESIN AND PROCESS FOR THE PREPARATION THEREOF IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2000-06-14 EP disclosed
US-4415725-A MOLDING MATERIALS; BLOW MOLDING; BOTTLES; FILMS GENERAL ELECTRIC CO. (US) 1983-11-15 US disclosed