SCHEMBL9500367

SCHEMBL9500367

CCCOc1ncc(-c2ccccc2C(O)CC)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.36
ROCK1 Q13464 2/20 0.36
LMNA P02545 2/20 0.34
ACACB O00763 4/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CDC7 O00311 1/20 0.32
PLK4 O00444 1/20 0.32
CHEK1 O14757 1/20 0.32
CHUK O15111 1/20 0.32
PDPK1 O15530 1/20 0.32
DYRK3 O43781 1/20 0.32
PRKD3 O94806 1/20 0.32
MAP4K4 O95819 1/20 0.32
PAK4 O96013 1/20 0.32
NTRK1 P04629 1/20 0.32
PRKCG P05129 1/20 0.32

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
SCHEMBL9500229 0.93 ROCK2 (0.39) ROCK2ROCK1LMNAACACBALDH1A1
SCHEMBL9498511 0.92 PTPN1 (0.39) ROCK2ROCK1LMNACDC7PLK4
SCHEMBL9500815 0.91 PPARG (0.40) ROCK2ROCK1CDC7PLK4CHEK1
SCHEMBL9499996 0.91 PPARG (0.40) ROCK2ROCK1CDC7PLK4CHEK1
SCHEMBL9499042 0.91 PPARG (0.40) ROCK2ROCK1CDC7PLK4CHEK1
SCHEMBL9498627 0.91 PPARG (0.40) ROCK2ROCK1CDC7PLK4CHEK1
SCHEMBL9498407 0.91 PPARG (0.40) ROCK2ROCK1CDC7PLK4CHEK1
SCHEMBL9502130 0.90 ROCK2 (0.38) ROCK2ROCK1LMNAACACBALDH1A1
SCHEMBL9498247 0.86 ALOX5AP (0.41) ROCK2ROCK1LMNAMAP4K4FYN
SCHEMBL9501989 0.85 LMNA (0.38) ROCK2ROCK1LMNAACACBALDH1A1

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