SCHEMBL11277288

SCHEMBL11277288

O=C(O)c1cc(=O)c(Oc2ccccc2O)co1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
PTGER4 P35408 1/20 0.39
KDM4E B2RXH2 3/20 0.39
USP2 O75604 1/20 0.39
CSNK2A2 P19784 1/20 0.39
PTGS1 P23219 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
CSNK2A3 Q8NEV1 1/20 0.39
TTR P02766 2/20 0.38
IDH1 O75874 1/20 0.37
DAO P14920 2/20 0.37
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
LMNA P02545 1/20 0.36
GPR35 Q9HC97 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL11267250 0.84 HTT (0.53) KDM4ETTRALDH1A1HPGDHSD17B10
SCHEMBL11280577 0.81 AKR1B1 (0.43) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL11270952 0.78 NPC1 (0.43) THRATHRBPTGER4KDM4EALDH1A1
SCHEMBL1037140 0.75 PTGER4 (0.52) PTGER4KDM4EDAOALDH1A1
SCHEMBL14818675 0.73 SMN1; SMN2 (0.37) PTGER4KDM4EUSP2CSNK2A2PTGS1
SCHEMBL3217997 0.73 SMN1; SMN2 (0.55) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL1171093 0.71 DAO (0.50) KDM4EIDH1DAO
SCHEMBL10328613 0.71 ALDH1A1 (0.40) PTGER4KDM4EUSP2CSNK2A2PTGS1
SCHEMBL6402963 0.70 MRGPRX4 (0.48) PTGER4KDM4EALDH1A1HPGDHSD17B10
SCHEMBL11265196 0.70 ALDH1A1 (0.42) KDM4EALDH1A1HPGDTDP1

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
US-4364956-A ASTHMA LILLY INDUSTRIES LIMITED (GB) 1982-12-21 US disclosed