SCHEMBL11264705

SCHEMBL11264705

CC(C)(C)OC(=O)N[C@@H](C(=O)O)c1csc(NC(=O)OCC(Cl)(Cl)Cl)n1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 1/20 0.38
CCR2 P41597 2/20 0.37
PTPRB P23467 3/20 0.36
ABCB1 P08183 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
PDE5A O76074 4/20 0.35
MAPT P10636 1/20 0.34
LCK P06239 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL9075964 0.91 PDE5A (0.36) SMN1; SMN2PDE5AMAPTTSHRMAPK1
SCHEMBL9076896 0.90 ABCB1 (0.41) PI4KBCCR2PTPRBABCB1SMN1; SMN2
SCHEMBL11204633 0.88 PI4KB (0.42) PI4KBCCR2PTPRBCTSSCTSK
SCHEMBL22017475 0.88 PI4KB (0.42) PI4KBCCR2PTPRBCTSSCTSK
SCHEMBL10425304 0.84 PDE5A (0.37) SMN1; SMN2PDE5AMAPTTSHRMAPK1
SCHEMBL9075472 0.84 HDAC3 (0.38) PI4KBPTPRBABCB1SMN1; SMN2CTSS
SCHEMBL20571757 0.83 MAPK1 (0.48) CCR2PTPRBSMN1; SMN2CTSSMAPT
SCHEMBL9073597 0.81 MAPT (0.43) SMN1; SMN2MAPTTSHRMAPK1
SCHEMBL9075797 0.81 PDE5A (0.37) SMN1; SMN2PDE5AMAPTTSHRMAPK1
SCHEMBL23452689 0.81 PTPRB (0.39) PI4KBPTPRBABCB1CTSSCTSK

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
US-4313945-A 7-Thiazolyl-acetamido-cephem derivatives with terminal aminocarboxylic acid grouping CIBA-GEIGY CORPORATION (US) 1982-02-02 US disclosed