SCHEMBL16540629

SCHEMBL16540629

CC(CC(=O)O)c1c(-c2ccccc2)oc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.49
▸ GAA P10253 2/20 0.49
▸ KMT2A Q03164 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ LMNA P02545 3/20 0.47
▸ TP53 P04637 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ ABCB1 P08183 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CALM1 P0DP23 1/20 0.47
▸ AR P10275 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ CYP1B1 Q16678 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ ABCG2 Q9UNQ0 1/20 0.44
▸ ALDH1A1 P00352 7/20 0.44

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
SCHEMBL1647999 0.76 CYP2C9 (0.66) KDM4EKMT2AMEN1CYP3A4ALDH1A1
SCHEMBL28389346 0.73 ABCG2 (0.60) KDM4EGAAKMT2AMEN1LMNA
SCHEMBL16541127 0.71 MAPT (0.60) KDM4EKMT2AMEN1LMNATP53
SCHEMBL18079037 0.71 DDR2 (0.60) KDM4EGAAKMT2AMEN1LMNA
SCHEMBL28196005 0.70 KDM4E (0.56) KDM4EGAAKMT2AMEN1LMNA
SCHEMBL28567447 0.70 ABCG2 (0.45) KDM4EGAAKMT2AMEN1LMNA
Glycolic Acid SCHEMBL11500652 0.70 KDM4E (0.54) KDM4EGAAKMT2AMEN1LMNA
Hydrochloric Acid SCHEMBL29432613 0.70 DDR2 (0.59) KDM4EGAAKMT2AMEN1LMNA
SCHEMBL11732285 0.69 L3MBTL1 (0.55) KDM4EGAAKMT2AMEN1LMNA
SCHEMBL11373064 0.69 MAPT (0.43) KDM4EKMT2AMEN1ALDH1A1HSD17B10

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-2015029062-A1 A PROCESS FOR THE PREPARATION OF ANTI-INFLAMMATORY AROYLBENZOFURAN COMPOUNDS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RSEARCH (IN) 2015-03-05 — — WO disclosed
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