SCHEMBL31048428

SCHEMBL31048428

CC(C)(C)[Si](C)(C)Oc1cc(O[Si](C)(C)C(C)(C)C)c2cc(F)c(Br)cc2c1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.36
CA1 P00915 4/20 0.36
CA9 Q16790 4/20 0.36
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30

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
SCHEMBL856524 0.76 AAK1 (0.37) CA12CA1CA9ALOX5APFEN1
SCHEMBL31048315 0.75 CA12 (0.37) CA12CA1CA9
SCHEMBL28697821 0.71 CA12 (0.39) CA12CA1CA9ALOX5APFEN1
SCHEMBL12492971 0.70 CA12 (0.46) CA12CA1CA9ALOX5APFEN1
SCHEMBL28422272 0.70 CA12 (0.46) CA12CA1CA9ALOX5APFEN1
SCHEMBL29860065 0.69 CA12 (0.36) CA12CA1CA9
SCHEMBL26963167 0.69 CA12 (0.36) CA12CA1CA9
SCHEMBL23190370 0.69 CA12 (0.40) CA12CA1CA9ALOX5APFEN1
SCHEMBL5882957 0.69 CA12 (0.36) CA12CA1CA9
SCHEMBL1828057 0.68 CA12 (0.47) CA12CA1CA9

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
WO-2024178304-A1 KRAS MODULATORS ALTEROME THERAPEUTICS, INC. (US) 2024-08-29 WO disclosed