SCHEMBL7969173

SCHEMBL7969173

Cc1cc(C(C)(CCC(C)(c2ccc(O)cc2)c2ccc(O)cc2)c2ccc(O)c(C)c2)ccc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 16/20 0.61
ESR2 Q92731 7/20 0.61
AR P10275 3/20 0.55
ALDH1A1 P00352 1/20 0.51
CYP3A4 P08684 1/20 0.51
CACNA1B Q00975 1/20 0.45
BACE1 P56817 1/20 0.44
CHEK1 O14757 1/20 0.44
FYN P06241 1/20 0.44
PDGFRB P09619 1/20 0.44
PIM1 P11309 1/20 0.44
FGFR1 P11362 1/20 0.44
FLT1 P17948 1/20 0.44
GRK5 P34947 1/20 0.44
MAP2K2 P36507 1/20 0.44
MAPK8 P45983 1/20 0.44
CDK8 P49336 1/20 0.44
RPS6KA3 P51812 1/20 0.44
PRKX P51817 1/20 0.44
JAK3 P52333 1/20 0.44

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
SCHEMBL10935943 0.93 ESR1 (0.54) ESR1ESR2ARALDH1A1CYP3A4
SCHEMBL2413116 0.93 ESR1 (0.57) ESR1ESR2ARALDH1A1CYP3A4
SCHEMBL21853575 0.89 ESR1 (0.61) ESR1ESR2ARALDH1A1CYP3A4
SCHEMBL30375021 0.89 ESR1 (0.53) ESR1ESR2ARALDH1A1CYP3A4
SCHEMBL17485288 0.89 ESR1 (0.53) ESR1ESR2ARALDH1A1CYP3A4
SCHEMBL10909749 0.87 ESR1 (0.69) ESR1ESR2AR
SCHEMBL14760222 0.87 ESR1 (0.69) ESR1ESR2AR
SCHEMBL30374847 0.87 ESR1 (0.51) ESR1ESR2ARALDH1A1CYP3A4
SCHEMBL3680857 0.86 ESR1 (0.54) ESR1ESR2ARALDH1A1CYP3A4
SCHEMBL30994345 0.86 ESR1 (0.54) ESR1ESR2ARALDH1A1CYP3A4

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