SCHEMBL8932367

SCHEMBL8932367

O=C(N[C@H](C(=O)NC(CO)C(=O)O)c1ccccc1)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.62
CTSS P25774 1/20 0.62
ATM Q13315 1/20 0.60
BACE1 P56817 3/20 0.52
CASP1 P29466 1/20 0.49
CASP3 P42574 1/20 0.49
CASP4 P49662 1/20 0.49
CASP7 P55210 1/20 0.49
MME P08473 2/20 0.49
ECE1 P42892 1/20 0.48
TACR1 P25103 2/20 0.48
CTSK P43235 1/20 0.48

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
SCHEMBL8932399 0.90 CTSL (0.63) CTSLCTSSATMBACE1CTSK
SCHEMBL9572337 0.87 CTSK (0.55) CTSLCTSSMMETACR1CTSK
SCHEMBL9572336 0.87 CTSK (0.55) CTSLCTSSMMETACR1CTSK
SCHEMBL201710 0.86 PPARA (0.57) CTSLCTSSCASP1TACR1CTSK
SCHEMBL457686 0.86 PPARA (0.57) CTSLCTSSCASP1TACR1CTSK
SCHEMBL295865 0.86 PPARA (0.57) CTSLCTSSCASP1TACR1CTSK
SCHEMBL920208 0.83 CTSS (0.58) CTSLCTSSATMBACE1MME
SCHEMBL920209 0.83 CTSS (0.58) CTSLCTSSATMBACE1MME
SCHEMBL1362502 0.83 ATM (0.77) CTSLCTSSATMCASP1
SCHEMBL3255533 0.83 ATM (0.77) CTSLCTSSATMCASP1

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
WO-1996027370-A1 FREE RADICAL SCAVENGER MOLECULES BRITISH TECHNOLOGY GROUP LIMITED (GB) 1996-09-12 WO claimed
WO-1996027370-A1 FREE RADICAL SCAVENGER MOLECULES BRITISH TECHNOLOGY GROUP LIMITED (GB) 1996-09-12 WO disclosed