SCHEMBL4872313

SCHEMBL4872313

Cc1ccc(O)c(C(C)(C)c2c(O)ccc(C)c2C)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.46
TRPA1 O75762 2/20 0.46
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 2/20 0.36
TP53 P04637 1/20 0.36
ESR2 Q92731 6/20 0.35
AR P10275 3/20 0.34
HSD17B10 Q99714 4/20 0.33
ALDH1A1 P00352 3/20 0.33
ALOX15 P16050 3/20 0.33
HPGD P15428 3/20 0.33
TSHR P16473 2/20 0.33
CASP1 P29466 1/20 0.33
PDE10A Q9Y233 1/20 0.33
KLF10 Q13118 1/20 0.32
OPRK1 P41145 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP2C9 P11712 2/20 0.32
NR1I2 O75469 1/20 0.32
LMNA P02545 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
SCHEMBL394780 0.86 TRPA1 (0.46) ESR1TRPA1ATMTDP1TP53
SCHEMBL30628003 0.86 TRPA1 (0.46) ESR1TRPA1ATMTDP1TP53
SCHEMBL980178 0.84 ESR1 (0.49) ESR1TRPA1ATMTDP1ESR2
SCHEMBL8827949 0.82 ALDH1A1 (0.48) ESR1TRPA1ATMTDP1TP53
SCHEMBL18955088 0.79 TRPA1 (0.36) ESR1TRPA1ATMTSHRCYP1A2
SCHEMBL29359879 0.73 ESR1 (0.43) ESR1TRPA1ATMTDP1TP53
SCHEMBL36472 0.73 ESR1 (0.43) ESR1TRPA1ATMTDP1TP53
SCHEMBL31612514 0.71 GABRA1 (0.45) ESR1TRPA1ATMTDP1TP53
SCHEMBL2051069 0.71 TRPA1 (0.46) ESR1TRPA1ATMTDP1TP53
SCHEMBL4503429 0.71 GABRA1 (0.45) ESR1TRPA1ATMTDP1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269367-A1 Prepolymer containing a Liquid Hardness Agent For Open Cell Foams NEILL PAUL L 2008-10-30 US disclosed
EP-1622960-A4 LIQUID HARDNESS AGENT FOR OPEN CELL FOAMS STEPAN CO (US) 2008-04-23 EP disclosed
WO-2007047661-A2 PREPOLYMER CONTAINING A LIQUID HARDNESS AGENT FOR OPEN CELL FOAMS STEPAN COMPANY (US) 2007-04-26 WO disclosed
US-20060169948-A1 Liquid hardness agent for open cell foams NEILL PAUL L 2006-08-03 US disclosed
EP-1622960-A2 LIQUID HARDNESS AGENT FOR OPEN CELL FOAMS STEPAN COMPANY (US) 2006-02-08 EP disclosed
US-20040259967-A1 Liquid hardness agent for open cell foams STEPAN COMPANY 2004-12-23 US disclosed
WO-2004094506-A2 LIQUID HARDNESS AGENT FOR OPEN CELL FOAMS STEPAN COMPANY (US) 2004-11-04 WO disclosed