SCHEMBL27775762

SCHEMBL27775762

Nc1cc(O)ccc1C=CC(=O)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYR P14679 1/20 0.72
▸ CHRNA7 P36544 4/20 0.58
▸ KMT2A Q03164 3/20 0.57
▸ CYP3A4 P08684 2/20 0.57
▸ HSPD1 P10809 2/20 0.57
▸ HSPE1 P61604 2/20 0.57
▸ RAB9A P51151 2/20 0.57
▸ PKM P14618 1/20 0.57
▸ NFKB1 P19838 1/20 0.57
▸ NFKB2 Q00653 1/20 0.57
▸ RELA Q04206 1/20 0.57
▸ CDC25A P30304 1/20 0.56
▸ CDC25C P30307 1/20 0.56
▸ CTSL P07711 3/20 0.53
▸ CTSB P07858 3/20 0.53
▸ MAPT P10636 4/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ MAOB P27338 2/20 0.53
▸ CYP1B1 Q16678 2/20 0.53

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
SCHEMBL7922958 0.86 CYP1B1 (0.57) TYRKMT2ACYP3A4HSPD1HSPE1
SCHEMBL7922956 0.86 CYP1B1 (0.57) TYRKMT2ACYP3A4HSPD1HSPE1
SCHEMBL7925073 0.84 TYR (1.00) TYRCHRNA7KMT2ACYP3A4HSPD1
SCHEMBL3995353 0.84 TYR (1.00) TYRCHRNA7KMT2ACYP3A4HSPD1
SCHEMBL21446825 0.84 TYR (1.00) TYRCHRNA7KMT2ACYP3A4HSPD1
SCHEMBL5981225 0.82 MIF (0.64) TYRCHRNA7KMT2ACYP3A4PKM
SCHEMBL29843588 0.82 MAPT (0.58) TYRKMT2ACYP3A4HSPD1HSPE1
SCHEMBL5981232 0.82 MIF (0.64) TYRCHRNA7KMT2ACYP3A4PKM
SCHEMBL7101080 0.82 MAPT (0.58) TYRKMT2ACYP3A4HSPD1HSPE1
SCHEMBL28383313 0.82 MAPT (0.58) TYRKMT2ACYP3A4HSPD1HSPE1

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
CN-101528210-A Method for screening anticancer compound inhibiting TM4SF5 function and anticancer composition containing chalcone compound SEOUL NATIONALUNIVERSITY INDUS (KR) 2009-09-09 — — CN disclosed
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