SCHEMBL16271963

SCHEMBL16271963

Bc1c(C)c(C)c(CC)c(C=O)c1C

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 1/20 0.31
▸ SRC P12931 1/20 0.31
▸ AXL P30530 1/20 0.31
▸ PTK2 Q05397 1/20 0.31
▸ AURKB Q96GD4 1/20 0.31
▸ ALK Q9UM73 1/20 0.31
▸ MAOB P27338 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
SCHEMBL15910152 0.82 IGF1R (0.34) IGF1RSRCAXLPTK2AURKB
SCHEMBL11760339 0.78 MAOB (0.37) IGF1RSRCAXLPTK2AURKB
SCHEMBL19253784 0.71 MAOB (0.36) IGF1RSRCAXLPTK2AURKB
SCHEMBL3269286 0.67 PGK1 (0.35) IGF1RSRCAXLPTK2AURKB
SCHEMBL10084874 0.66 ALDH1A1 (0.32) IGF1RSRCAXLPTK2AURKB
SCHEMBL16274220 0.65 HSD17B10 (0.40) —
SCHEMBL31156341 0.64 MAOB (0.43) IGF1RSRCAXLPTK2AURKB
SCHEMBL29818609 0.64 ALDH1A1 (0.33) SRC
SCHEMBL31156359 0.64 MAOB (0.43) IGF1RSRCAXLPTK2AURKB
SCHEMBL18077441 0.62 HPGD (0.39) IGF1RSRCAXLPTK2AURKB

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-2014191789-A1 NEW CATIONIC AMINO ACIDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND THEIR USE FOR THE TREATMENT OF BACTERIAL INFECTIONS UNIVERSITE PIERRE ET MARIE CURIE (PARIS 6) (FR) 2014-12-04 — — WO disclosed
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