SCHEMBL9003758

SCHEMBL9003758

CC(C)(c1ccc(O)cc1)c1cccc(C(=O)O)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.68
ESR2 Q92731 4/20 0.68
CYP3A4 P08684 2/20 0.61
ALDH1A1 P00352 1/20 0.61
AR P10275 1/20 0.53
HPGD P15428 1/20 0.53
TSHR P16473 1/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A4 P31645 1/20 0.53
HTR6 P50406 1/20 0.53
ESRRG P62508 1/20 0.53
SLC6A3 Q01959 1/20 0.53
HSD17B10 Q99714 1/20 0.53
CA12 O43570 2/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA6 P23280 2/20 0.52
CA9 Q16790 2/20 0.52
TTR P02766 1/20 0.49
RXRA P19793 3/20 0.47

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
Bisphenol A SCHEMBL11199980 0.93 ESR1 (0.61) ESR1ESR2CYP3A4ALDH1A1AR
SCHEMBL1635891 0.93 ESR1 (0.55) ESR1ESR2CYP3A4ALDH1A1HPGD
Bisphenol A SCHEMBL7055240 0.90 ESR1 (0.58) ESR1ESR2CYP3A4ALDH1A1AR
Bisphenol A SCHEMBL9246479 0.90 ESR1 (0.58) ESR1ESR2CYP3A4ALDH1A1AR
SCHEMBL1634947 0.90 RXRA (0.55) ESR1ESR2CYP3A4ALDH1A1TSHR
SCHEMBL8678646 0.90 RXRA (0.55) ESR1ESR2CYP3A4ALDH1A1TSHR
SCHEMBL1296121 0.90 RXRA (0.55) ESR1ESR2CYP3A4ALDH1A1TSHR
SCHEMBL29466781 0.89 RXRA (0.56) ESR1ESR2HPGDHSD17B10CA12
SCHEMBL1041916 0.89 RXRA (0.56) ESR1ESR2HPGDHSD17B10CA12
Bisphenol A SCHEMBL11051136 0.89 ESR1 (0.56) ESR1ESR2CYP3A4ALDH1A1AR

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-5491201-A HEAT/CHEMICAL RESISTANCE; HIGH MECHANICAL STRENGTH THE DOW CHEMICAL COMPANY (US) 1996-02-13 US disclosed
US-5338828-A Mesogenic cyclic imino ether-containing compositions and polymerization products thereof THE DOW CHEMICAL COMPANY (US) 1994-08-16 US disclosed
US-5281675-A Liquid crystal polymers THE DOW CHEMICAL COMPANY (US) 1994-01-25 US disclosed