SCHEMBL8653155

SCHEMBL8653155

CCCc1c(-c2ccc(O)cc2)oc2c1C(=O)C(O)C=C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.39
ESR2 Q92731 5/20 0.39
POLH Q9Y253 1/20 0.37
HSD17B3 P37058 2/20 0.34
USP7 Q93009 1/20 0.34
PPARG P37231 1/20 0.32
PTPN1 P18031 2/20 0.32
ACP1 P24666 1/20 0.32
RPS6KA3 P51812 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GMNN O75496 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX15 P16050 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
SCHEMBL8653867 0.93 PTPN1 (0.36) ESR1ESR2HSD17B3PPARGPTPN1
SCHEMBL8655703 0.78 ESR1 (0.43) ESR1ESR2CYP2D6
SCHEMBL8656916 0.72 ESR1 (0.42) ESR1ESR2POLHHSD17B3USP7
SCHEMBL8654530 0.65 PTPN1 (0.37) ESR1ESR2HSD17B3PPARGPTPN1
SCHEMBL8635613 0.62 MEN1 (0.54) POLHHSD17B3PTPN1ACP1KDM4E
SCHEMBL8638845 0.62 HSD17B3 (0.56) ESR1ESR2POLHHSD17B3PPARG
SCHEMBL8657893 0.61 ESR1 (0.47) ESR1ESR2USP7PTPN1ACP1
SCHEMBL8383149 0.59 HSD17B3 (0.65) ESR1ESR2HSD17B3PPARGKDM4E
SCHEMBL5729783 0.59 ESR1 (0.48) ESR1ESR2USP7KDM4EGMNN
SCHEMBL5274700 0.56 ESR1 (0.53) ESR1ESR2USP7KDM4EGMNN

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-0516257-B1 Phenylbenzo[b]furans and -thiophenes, procedures for their preparation, and pharmaceutical compositions containing the same SCHERING AG (DE) 1998-08-05 EP claimed