SCHEMBL9500550

SCHEMBL9500550

CCC(O)c1ccccc1-c1ccc(C)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.44
USP1 O94782 2/20 0.40
WDR48 Q8TAF3 2/20 0.40
LMNA P02545 1/20 0.38
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
HPGDS O60760 1/20 0.35
PTGS2 P35354 3/20 0.35
TDO2 P48775 1/20 0.35
MAPK10 P53779 2/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
CRHR1 P34998 1/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
JUN P05412 1/20 0.33
PDE10A Q9Y233 1/20 0.33

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
SCHEMBL9498604 0.86 LMNA (0.39) USP1WDR48LMNAROCK2ROCK1
SCHEMBL9498645 0.84 LMNA (0.38) USP1WDR48LMNAPTGS2ROCK2
SCHEMBL9500781 0.82 MAPT (0.42) LMNAPKMROCK2ROCK1
SCHEMBL9500391 0.82 LMNA (0.36) LMNAROCK2ROCK1
SCHEMBL9501996 0.81 LMNA (0.38) USP1WDR48LMNAROCK2ROCK1
SCHEMBL9500050 0.81 CYP2A6 (0.44) LMNANPC1PKM
SCHEMBL14959711 0.80 USP1 (0.52) PDK2USP1WDR48NPC1PKM
SCHEMBL9502130 0.80 ROCK2 (0.38) LMNAPKMROCK2ROCK1
SCHEMBL9502015 0.80 GABRP (0.38) LMNA
SCHEMBL9499944 0.79 LMNA (0.36) LMNANPC1PKMRAB9AROCK2

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