SCHEMBL9819613

SCHEMBL9819613

COC(=O)C=CC(Cc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSL P07711 10/20 0.69
CTSB P07858 4/20 0.55
CTSS P25774 2/20 0.54
CTRB1 P17538 2/20 0.53
TRPM8 Q7Z2W7 1/20 0.52
ALDH1A1 P00352 1/20 0.52
ALOX15 P16050 1/20 0.52

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
SCHEMBL9819611 1.00 CTSL (0.69) CTSLCTSBCTSSCTRB1TRPM8
SCHEMBL8915297 0.89 CTSL (0.62) CTSLTRPM8ALDH1A1ALOX15
SCHEMBL8915300 0.89 CTSL (0.62) CTSLTRPM8ALDH1A1ALOX15
SCHEMBL7310419 0.88 CTSL (0.62) CTSLCTSBCTSSCTRB1
SCHEMBL2736209 0.88 CTSL (0.62) CTSLCTSBCTSSCTRB1
SCHEMBL2736217 0.88 CTSL (0.62) CTSLCTSBCTSSCTRB1
SCHEMBL5406758 0.84 ATM (0.53) CTSLCTSBCTSSALDH1A1ALOX15
SCHEMBL5414264 0.84 ATM (0.53) CTSLCTSBCTSSALDH1A1ALOX15
SCHEMBL5406769 0.84 ATM (0.53) CTSLCTSBCTSSALDH1A1ALOX15
SCHEMBL5416888 0.84 ATM (0.53) CTSLCTSBCTSSALDH1A1ALOX15

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-5006511-A Treating hypertension, congestive heart failure MERCK & CO., INC. (US) 1991-04-09 US disclosed