SCHEMBL10464366

SCHEMBL10464366

CCC(CBr)NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.46
CTSS P25774 5/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
SYK P43405 1/20 0.45
CYP2D6 P10635 1/20 0.41
ATM Q13315 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
AAK1 Q2M2I8 1/20 0.39

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
SCHEMBL9911449 0.88 CA1 (0.52) CTSKCTSSCA1CA2CA7
SCHEMBL20757550 0.85 CTSK (0.49) CTSKCTSSCA1CA2CA7
SCHEMBL30980418 0.84 CA1 (0.45) CTSKCTSSCA1CA2CA7
SCHEMBL8561571 0.84 CA1 (0.53) CTSKCTSSCA1CA2CA7
SCHEMBL8560322 0.84 CA1 (0.53) CTSKCTSSCA1CA2CA7
SCHEMBL102361 0.83 CTSK (0.47) CTSKCTSSCA1CA2CA7
SCHEMBL1809284 0.83 CTSK (0.47) CTSKCTSSCA1CA2CA7
SCHEMBL1809285 0.83 CTSK (0.47) CTSKCTSSCA1CA2CA7
SCHEMBL22077873 0.82 SYK (0.46) CTSKCTSSCA1CA2CA7
SCHEMBL20886481 0.82 CA1 (0.44) CTSKCTSSCA1CA2CA7

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
US-4943567-A EFFECTIVE AGAINST PSEUDOMONAS KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1990-07-24 US disclosed
EP-0293771-A2 Cephalosporin compound and pharmaceutical composition thereof Kyoto Pharmaceutical Industries, Ltd. (JP) 1988-12-07 EP disclosed