SCHEMBL9501996

SCHEMBL9501996

CCc1ncc(-c2ccccc2C(O)CC)cn1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
TSHR P16473 2/20 0.33
RECQL P46063 1/20 0.32
GRM5 P41594 1/20 0.32
USP7 Q93009 4/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
USP1 O94782 2/20 0.30
WDR48 Q8TAF3 2/20 0.30
AOC3 Q16853 1/20 0.30
ADRB2 P07550 1/20 0.30
ADRB1 P08588 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
SCHEMBL9499944 0.88 LMNA (0.36) LMNAROCK2ROCK1TSHRRECQL
SCHEMBL9498604 0.86 LMNA (0.39) LMNAROCK2ROCK1TSHRRECQL
SCHEMBL9500327 0.85 BRS3 (0.35) LMNAROCK2ROCK1
SCHEMBL9498645 0.84 LMNA (0.38) LMNAROCK2ROCK1TSHRRECQL
SCHEMBL9498342 0.83 KCNH2 (0.36)
SCHEMBL9498235 0.83 KCNH2 (0.36)
SCHEMBL9502130 0.83 ROCK2 (0.38) LMNAROCK2ROCK1GRM5CTDSP1
SCHEMBL9498247 0.82 ALOX5AP (0.41) LMNAROCK2ROCK1
SCHEMBL9500550 0.81 PDK2 (0.44) LMNAROCK2ROCK1USP1WDR48
SCHEMBL9500367 0.80 ROCK2 (0.36) LMNAROCK2ROCK1GRM5CTDSP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0354655-B1 1-PHENYL-1-PROPANOL DERIVATIVES CHISSO CORPORATION (JP) 1993-04-07 EP disclosed
US-5076947-A Optically active; free from temperature dependence CHISSO CORPORATION (JP) 1991-12-31 US disclosed
EP-0354655-A2 1-Phenyl-1-propanol derivatives CHISSO CORPORATION (JP) 1990-02-14 EP disclosed