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SCHEMBL8945590

SCHEMBL8945590

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)C(F)(F)C(=O)NCc1ccc2c(c1)OCO2

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 2/20 0.44
▸ ITGA4 P13612 1/20 0.44
▸ CMA1 P23946 1/20 0.43
▸ HPGD P15428 1/20 0.42
▸ ACE P12821 1/20 0.42
▸ HRH4 Q9H3N8 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ HTRA1 Q92743 4/20 0.41
▸ CTSS P25774 1/20 0.41
▸ CTSK P43235 1/20 0.41

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
SCHEMBL8736216 0.90 CTSD (0.53) CTSDCMA1ACEHTRA1CTSS
SCHEMBL8945318 0.84 CTSD (0.46) CTSDCMA1ACEHTRA1CTSS
SCHEMBL8364492 0.83 CTSD (0.48) CTSDCMA1
SCHEMBL9421813 0.82 MME (0.48) CMA1ACEHTRA1
SCHEMBL8041651 0.82 MME (0.47) CTSDCMA1ACECTSSCTSK
SCHEMBL8945610 0.81 MME (0.45) CTSDCMA1ACECTSSCTSK
SCHEMBL7422223 0.80 ITGB3 (0.45) CTSDCMA1ACECTSSCTSK
SCHEMBL7933938 0.79 CTSD (0.47) CTSDCMA1ACECTSSCTSK
SCHEMBL8945566 0.79 CTSD (0.47) CTSDCMA1ACECTSSCTSK
SCHEMBL7416869 0.79 MME (0.43) CTSDCMA1ACECTSSCTSK

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
US-5559140-A VIRICIDES MERRELL PHARMACEUTICALS INC. (US) 1996-09-24 — — US disclosed