SCHEMBL9498604

SCHEMBL9498604

CCC(O)c1ccccc1-c1cnc(C)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
TSHR P16473 1/20 0.33
PDE10A Q9Y233 1/20 0.33
RECQL P46063 1/20 0.33
SCN9A Q15858 3/20 0.32
GRM5 P41594 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
HIF1A Q16665 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31

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
SCHEMBL9500550 0.86 PDK2 (0.44) LMNAROCK2ROCK1PDE10AUSP1
SCHEMBL9501996 0.86 LMNA (0.38) LMNAROCK2ROCK1TSHRRECQL
SCHEMBL9502130 0.84 ROCK2 (0.38) LMNAROCK2ROCK1GRM5CYP1A2
SCHEMBL9498247 0.83 ALOX5AP (0.41) LMNAHDAC8ROCK2ROCK1SCN9A
SCHEMBL9499944 0.83 LMNA (0.36) LMNAROCK2ROCK1TSHRRECQL
SCHEMBL9498645 0.83 LMNA (0.38) LMNAROCK2ROCK1TSHRRECQL
SCHEMBL9500367 0.81 ROCK2 (0.36) LMNAROCK2ROCK1GRM5CTDSP1
SCHEMBL9500327 0.81 BRS3 (0.35) LMNAROCK2ROCK1GABRPGABRD
SCHEMBL9500391 0.80 LMNA (0.36) LMNAROCK2ROCK1
SCHEMBL9500781 0.80 MAPT (0.42) LMNAROCK2ROCK1SCN9AGRM5

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