SCHEMBL8199503

SCHEMBL8199503

CSCC[C@H](NC(=O)c1ccc(C=C(c2ccccc2)C(C)c2ncc[nH]2)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.46
CA1 P00915 2/20 0.46
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
FNTA P49354 14/20 0.44
FNTB P49356 14/20 0.44
PGGT1B P53609 1/20 0.43
FPR1 P21462 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CRHBP P24387 1/20 0.43
KMT2A Q03164 1/20 0.43
CRHR2 Q13324 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
SCHEMBL7703460 0.78 FNTA (0.49) CA2CA1CA12CA9FNTA
SCHEMBL7703456 0.78 FNTA (0.49) CA2CA1CA12CA9FNTA
SCHEMBL1158033 0.76 CA2 (0.69) CA2CA1CA12CA9FNTA
SCHEMBL9461939 0.76 CA2 (0.69) CA2CA1CA12CA9FNTA
SCHEMBL1158031 0.76 CA2 (0.69) CA2CA1CA12CA9FNTA
SCHEMBL8205624 0.75 CA2 (0.46) CA2CA1CA12CA9FNTA
Water SCHEMBL28867161 0.74 CA2 (0.67) CA2CA1CA12CA9FNTA
Lithium SCHEMBL6646645 0.74 CA2 (0.67) CA2CA1CA12CA9FNTA
SCHEMBL6646636 0.74 CA2 (0.67) CA2CA1CA12CA9FNTA
SCHEMBL8206395 0.71 ALDH1A1 (0.41) MEN1ALDH1A1KMT2A

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
EP-0975603-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE ZENECA LIMITED (GB) 2000-02-02 EP disclosed
WO-1998032741-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE ZENECA LIMITED (GB) 1998-07-30 WO disclosed