SCHEMBL7427744

SCHEMBL7427744

O=C(O)c1cccc(NC(=O)C(CS)Cc2ccc(F)cc2F)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.48
ALDH1A1 P00352 1/20 0.45
FOLH1 Q04609 1/20 0.43
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
PGGT1B P53609 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ANPEP P15144 1/20 0.41
ENPEP Q07075 1/20 0.41
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
THRB P10828 1/20 0.40
PTGDR Q13258 1/20 0.40
CASR P41180 1/20 0.40

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
SCHEMBL7435223 0.85 FOLH1 (0.52) PPARAALDH1A1FOLH1ANPEPENPEP
SCHEMBL7435916 0.84 PPARA (0.45) PPARAALDH1A1NPC1RAB9APTGDR
SCHEMBL391430 0.80 FOLH1 (0.60) ALDH1A1FOLH1ANPEPENPEPNPC1
SCHEMBL7434454 0.79 FOLH1 (0.59) ALDH1A1FOLH1ANPEPENPEPNPC1
SCHEMBL7436909 0.78 ALDH1A1 (0.46) ALDH1A1FOLH1FNTAFNTBPGGT1B
SCHEMBL7427703 0.76 FOLH1 (0.52) ALDH1A1FOLH1
SCHEMBL7426722 0.75 ALDH1A1 (0.54) ALDH1A1FOLH1FNTAFNTBPGGT1B
SCHEMBL9587402 0.74 FOLH1 (0.53) ALDH1A1FOLH1ANPEPENPEPNPC1
SCHEMBL7433519 0.73 NPC1 (0.53) PPARAALDH1A1FOLH1NPC1RAB9A
SCHEMBL7431248 0.73 FOLH1 (0.49) ALDH1A1FOLH1ANPEPENPEPNPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5210266-A Analgesic enkephalinase inhibitors DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1993-05-11 US disclosed
US-5179125-A Analgesics DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1993-01-12 US disclosed
EP-0318859-A2 N-substituted mercaptopropanamide derivatives Dainippon Pharmaceutical Co., Ltd. (JP) 1989-06-07 EP disclosed