SCHEMBL18215342

SCHEMBL18215342

COc1cccc([C@@H](C)NC(C)c2cc(-c3ccc(C)c(CCC(=O)O)c3)c3ccccc3c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 4/20 0.41
▸ ROCK1 Q13464 4/20 0.40
▸ PRKG1 Q13976 3/20 0.40
▸ RPS6KA5 O75582 2/20 0.40
▸ PRKACA P17612 2/20 0.40
▸ RPS6KB1 P23443 2/20 0.40
▸ CDK2 P24941 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ AKT1 P31749 2/20 0.40
▸ AKT2 P31751 2/20 0.40
▸ GSK3A P49840 2/20 0.40
▸ GSK3B P49841 2/20 0.40
▸ RPS6KA3 P51812 2/20 0.40
▸ PRKX P51817 2/20 0.40
▸ PRKCD Q05655 2/20 0.40
▸ PRKG2 Q13237 2/20 0.40
▸ PKN2 Q16513 2/20 0.40
▸ CDC42BPA Q5VT25 2/20 0.40
▸ HIPK4 Q8NE63 2/20 0.40
▸ CLK4 Q9HAZ1 2/20 0.40

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
SCHEMBL16548163 1.00 CASR (0.41) CASRROCK1PRKG1RPS6KA5PRKACA
Hydrochloric Acid SCHEMBL16540254 0.99 CASR (0.40) CASRROCK1PRKG1RPS6KA5PRKACA
SCHEMBL17945890 0.93 CASR (0.41) CASRROCK1PRKG1PRKACARPS6KB1
Hydrochloric Acid SCHEMBL16540215 0.92 CASR (0.40) CASRROCK1PRKG1PRKACARPS6KB1
SCHEMBL16548234 0.91 POLB (0.41) CASRROCK1PRKG1RPS6KA5PRKACA
SCHEMBL16548158 0.91 CASR (0.41) CASRROCK1PRKG1RPS6KA5PRKACA
SCHEMBL16541124 0.91 POLB (0.41) CASRROCK1PRKG1RPS6KA5PRKACA
SCHEMBL16548327 0.91 PPARG (0.40) PPARGLMNA
SCHEMBL16548190 0.91 CASR (0.39) CASRROCK1PRKG1RPS6KA5PRKACA
SCHEMBL17950569 0.91 CASR (0.39) CASRROCK1PRKG1RPS6KA5PRKACA

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-9493396-B2 Substituted naphthalene compounds as calcium sensing receptor modulators LUPIN ATLANTIS HOLDINGS SA (CH) 2016-11-15 — — US disclosed
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