SCHEMBL9716700

SCHEMBL9716700

O=C(O)c1ccc(C(=O)O)c(Oc2ccc(O)cc2-c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.49
ESR2 Q92731 1/20 0.49
TTR P02766 2/20 0.44
HSD17B10 Q99714 1/20 0.42
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
KDM4E B2RXH2 1/20 0.41
EGFR P00533 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
PTPN1 P18031 1/20 0.40
SYK P43405 1/20 0.40
AURKB Q96GD4 1/20 0.40
INCENP Q9NQS7 1/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 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
SCHEMBL8736663 0.79 CA12 (0.50) ESR2TTRHSD17B10KDM4EEGFR
SCHEMBL10882055 0.79 CA12 (0.46) ESR1ESR2TTRKDM4EMEN1
SCHEMBL29038528 0.78 HTT (0.59) ESR1ESR2TTRHSD17B10KDM4E
SCHEMBL9716693 0.76 ESR1 (0.56) ESR1ESR2TTRKDM4EEGFR
SCHEMBL3040769 0.76 HSD17B10 (0.58) ESR1ESR2HSD17B10AKR1C3AKR1C2
SCHEMBL5667821 0.75 RXRA (0.41) TTRKDM4ERXRARXRBRXRG
SCHEMBL9807221 0.75 TTR (0.53) ESR1ESR2TTRCA12CA1
SCHEMBL649980 0.75 TTR (0.66) TTRAKR1C3KDM4E
SCHEMBL11121852 0.74 HTT (0.51) ESR1ESR2HSD17B10KDM4EMEN1
SCHEMBL9857403 0.74 ESR2 (0.56) ESR1ESR2HSD17B10EGFRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0476471-A2 High modulus polymeric composition THE GOODYEAR TIRE & RUBBER COMPANY (US) 1992-03-25 EP disclosed