SCHEMBL7365429

SCHEMBL7365429

CC(C)(C)OC(=O)[C@H](Cc1ccc(C=O)cc1)NC(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.53
CTSK P43235 2/20 0.53
CTSB P07858 2/20 0.53
CTSS P25774 1/20 0.53
ALDH1A1 P00352 1/20 0.52
ALOX15 P16050 1/20 0.52
ITGB3 P05106 2/20 0.52
ITGA2B P08514 2/20 0.52
TACR1 P25103 2/20 0.51
SYK P43405 1/20 0.51
PPARA Q07869 1/20 0.51
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL5115743 0.91 PPARA (0.56) CTSLCTSKCTSBCTSSPPARA
SCHEMBL9219338 0.91 CTSK (0.62) CTSLCTSKCTSBCTSSALDH1A1
SCHEMBL19485480 0.91 CTSK (0.62) CTSLCTSKCTSBCTSSALDH1A1
SCHEMBL9995844 0.89 CTSK (0.60) CTSLCTSKCTSBCTSSALDH1A1
SCHEMBL2058584 0.89 CTSK (0.60) CTSLCTSKCTSBCTSSALDH1A1
SCHEMBL15018841 0.89 CTSK (0.60) CTSLCTSKCTSBCTSSALDH1A1
Water SCHEMBL15019511 0.87 CTSS (0.62) CTSLCTSKCTSBCTSSALDH1A1
Water SCHEMBL15019510 0.87 CTSS (0.62) CTSLCTSKCTSBCTSSALDH1A1
SCHEMBL15096394 0.87 P2RX7 (0.58) CTSLCTSKCTSBCTSSALDH1A1
SCHEMBL7366678 0.87 CTSK (0.56) CTSLCTSKCTSBCTSSALDH1A1

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
WO-1992014706-A1 CYCLOPENTANE-DERIVED GLUTARAMIDE ANTIHYPERTENSIVE AGENTS PFIZER LIMITED (GB) 1992-09-03 WO disclosed