SCHEMBL2929213

SCHEMBL2929213

NC(=O)[C@H](CS)NCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FCER2 P06734 1/20 0.44
CPA3 P15088 1/20 0.43
FOLH1 Q04609 1/20 0.43

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
SCHEMBL1031027 0.86 CPA3 (0.50) CPA3FOLH1
SCHEMBL515921 0.86 CPA3 (0.50) CPA3FOLH1
SCHEMBL1109641 0.86 CPA3 (0.50) CPA3FOLH1
SCHEMBL26523520 0.84 CYP1A2 (0.47)
SCHEMBL8843830 0.84 EPHX1 (0.51)
SCHEMBL1576808 0.84 PDCD1 (0.49)
SCHEMBL5653982 0.84 PDCD1 (0.49)
SCHEMBL5653973 0.84 PDCD1 (0.49)
SCHEMBL9706212 0.84 EPHX1 (0.51)
Hydrochloric Acid SCHEMBL1927541 0.84 CPA3 (0.49) CPA3FOLH1

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
EP-2230312-A1 Probe compound for detecting and isolating enzymes and means and methods using the same Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2010-09-22 EP disclosed