SCHEMBL10339168

SCHEMBL10339168

[NH]c1ccc(OC(=O)[C@@H](N)CCCCN)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GSR P00390 1/20 0.43
▸ LTA4H P09960 1/20 0.41
▸ DPP7 Q9UHL4 3/20 0.40
▸ DPP9 Q86TI2 2/20 0.40
▸ DPP8 Q6V1X1 2/20 0.40
▸ ITGB3 P05106 1/20 0.40
▸ ITGA2B P08514 1/20 0.40
▸ MMP2 P08253 2/20 0.37
▸ MMP9 P14780 1/20 0.35
▸ RNPEP Q9H4A4 1/20 0.35
▸ ERAP2 Q6P179 2/20 0.35
▸ LNPEP Q9UIQ6 1/20 0.35
▸ CPB2 Q96IY4 1/20 0.35
▸ TERT O14746 3/20 0.34
▸ ERAP1 Q9NZ08 1/20 0.34
▸ EPOR P19235 1/20 0.34

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
SCHEMBL7775127 0.84 GSR (0.50) GSRLTA4HDPP7DPP9DPP8
SCHEMBL7775125 0.84 GSR (0.50) GSRLTA4HDPP7DPP9DPP8
SCHEMBL6123333 0.82 GSR (0.43) GSRLTA4HDPP7DPP9DPP8
SCHEMBL8740500 0.80 MMP2 (0.53) DPP9DPP8MMP2
SCHEMBL4423862 0.80 MMP2 (0.53) DPP9DPP8MMP2
SCHEMBL2387943 0.80 MMP2 (0.53) DPP9DPP8MMP2
SCHEMBL571283 0.80 ITGB3 (0.65) GSRLTA4HITGB3ITGA2BMMP2
SCHEMBL16124585 0.80 THRB (0.48) GSRLTA4HITGB3ITGA2BERAP2
SCHEMBL578977 0.80 ITGB3 (0.48) LTA4HITGB3ITGA2BMMP2
SCHEMBL11906139 0.80 LTA4H (0.44) GSRLTA4HDPP7DPP9DPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2169586-A — — None — — JP disclosed
JP-H02169586-A CHROMONE DERIVATIVE, PRODUCTION OF SAME CHROMONE DERIVATIVE AND ANTITUMOR AGENT CONTAINING CHROMONE DERIVATIVE AS ACTIVE INGREDIENT TSUMURA & CO 1990-06-29 — — JP disclosed
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