SCHEMBL9707878

SCHEMBL9707878

OC(c1ccc(-c2ccccc2)cc1)c1ccco1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
KMT2A Q03164 2/20 0.46
ESR2 Q92731 2/20 0.46
PKM P14618 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN7 P35236 1/20 0.46
BLM P54132 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HSD17B10 Q99714 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CYP2C19 P33261 2/20 0.41
ACP3 P15309 2/20 0.40
PTGS2 P35354 1/20 0.40
PIK3R1 P27986 1/20 0.39
PIK3CA P42336 1/20 0.39
EPHX1 P07099 1/20 0.39

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
SCHEMBL477450 0.88 L3MBTL1 (0.52) POLBKMT2AESR2PKMPTPN1
SCHEMBL477460 0.88 L3MBTL1 (0.52) POLBKMT2AESR2PKMPTPN1
SCHEMBL3585861 0.79 CA12 (0.59) CA12CA1CA2CA9CA14
SCHEMBL2719370 0.79 CYP11B1 (0.56) POLBKMT2AESR2PKMPTPN1
SCHEMBL24516966 0.78 KMT2A (0.42) POLBKMT2AESR2PKMPTPN1
SCHEMBL4504963 0.77 CA1 (0.62) L3MBTL1CA12CA1CA2CA9
SCHEMBL7684954 0.76 KMT2A (0.56) POLBKMT2AESR2PKMPTPN1
SCHEMBL24516523 0.74 GAA (0.47) POLBKMT2APKML3MBTL1HSD17B10
SCHEMBL24515979 0.74 UGT2B7 (0.52) POLBKMT2AESR2PKMPTPN1
SCHEMBL8925746 0.74 CA1 (0.64) L3MBTL1CA12CA1CA2CA9

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
WO-1992011762-A1 FUNGICIDAL HYDROXYPYRANONES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-07-23 WO disclosed