SCHEMBL7366678

SCHEMBL7366678

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

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.56
CTSL P07711 4/20 0.56
CTSS P25774 4/20 0.56
CTSB P07858 3/20 0.56
ALDH1A1 P00352 1/20 0.55
ALOX15 P16050 1/20 0.55
ITGB3 P05106 2/20 0.54
ITGA2B P08514 2/20 0.54
TACR1 P25103 2/20 0.54
SYK P43405 1/20 0.54
KLK5 Q9Y337 1/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.52
TDP1 Q9NUW8 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
SCHEMBL19485480 0.94 CTSK (0.62) CTSKCTSLCTSSCTSBALDH1A1
SCHEMBL9219338 0.94 CTSK (0.62) CTSKCTSLCTSSCTSBALDH1A1
SCHEMBL2058584 0.92 CTSK (0.60) CTSKCTSLCTSSCTSBALDH1A1
SCHEMBL9995844 0.92 CTSK (0.60) CTSKCTSLCTSSCTSBALDH1A1
SCHEMBL15018841 0.92 CTSK (0.60) CTSKCTSLCTSSCTSBALDH1A1
Water SCHEMBL15019511 0.91 CTSS (0.62) CTSKCTSLCTSSCTSBALDH1A1
SCHEMBL15096394 0.91 P2RX7 (0.58) CTSKCTSLCTSSCTSBALDH1A1
Water SCHEMBL15019510 0.91 CTSS (0.62) CTSKCTSLCTSSCTSBALDH1A1
SCHEMBL23729806 0.91 CTSS (0.58) CTSKCTSLCTSSCTSBTACR1
SCHEMBL5887559 0.89 P2RX7 (0.59) CTSKCTSLCTSSCTSBALDH1A1

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