SCHEMBL7692995

SCHEMBL7692995

CC(=O)Oc1cc(-c2c(CCCl)[nH]c(C(F)(F)F)c2CCCl)c(F)cc1Cl

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
BACE1 P56817 1/20 0.33
AKT1 P31749 1/20 0.32
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
KDM4E B2RXH2 2/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
GFER P55789 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL7687816 0.89 BACE1 (0.36) ROCK2ROCK1BACE1CYP4F2CYP4A11
SCHEMBL7696823 0.81 PDCD1 (0.33) ROCK2ROCK1
SCHEMBL7693702 0.80 ROCK2 (0.30) ROCK2ROCK1
SCHEMBL7687042 0.79 ROCK2 (0.34) ROCK2ROCK1GAAALDH1A1
SCHEMBL7688595 0.79 RAB9A (0.43) ROCK2ROCK1GLAGAAALDH1A1
SCHEMBL7695995 0.78 ROCK2 (0.31) ROCK2ROCK1
SCHEMBL7695275 0.78
SCHEMBL7692223 0.78 FAAH (0.37) ROCK2ROCK1GAAALDH1A1HPGD
SCHEMBL7694737 0.78 FKBP1A (0.50) KDM4EGLAGAAALDH1A1HSD17B10
SCHEMBL7689208 0.78 ROCK2 (0.32) ROCK2ROCK1

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
WO-2002070476-A1 PHENYLPYRROLES WITH A HERBICIDAL ACTIVITY ISAGRO RICERCA S.R.L. (IT) 2002-09-12 WO disclosed