SCHEMBL3840008

SCHEMBL3840008

CC(C)C(O)c1ccc(C(=O)NC(C)(C)c2ccccc2)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 3/20 0.46
B3GNT2 Q9NY97 1/20 0.43
ROCK2 O75116 2/20 0.42
ROCK1 Q13464 1/20 0.42
HDAC1 Q13547 1/20 0.41
PPARG P37231 3/20 0.41
USP36 Q9P275 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ADAMTS4 O75173 1/20 0.38
ADAMTS5 Q9UNA0 1/20 0.38
TACR3 P29371 1/20 0.38
PHGDH O43175 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.38
GPR139 Q6DWJ6 1/20 0.37

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
SCHEMBL3835041 0.83 IMPDH2 (0.45) IMPDH2B3GNT2ROCK2ROCK1PPARG
SCHEMBL3040156 0.82 IMPDH2 (0.54) IMPDH2ROCK2ROCK1CYP1A2CYP2C9
SCHEMBL3836090 0.81 ROCK2 (0.42) IMPDH2B3GNT2ROCK2ROCK1HDAC1
SCHEMBL3046619 0.81 IMPDH2 (0.51) IMPDH2ROCK2ROCK1PPARGUSP36
SCHEMBL3049695 0.79 IMPDH2 (0.52) IMPDH2ROCK2ROCK1PPARGMEN1
SCHEMBL3039346 0.76 ROCK2 (0.57) IMPDH2ROCK2ROCK1CYP1A2CYP2C19
SCHEMBL3836791 0.76 IMPDH2 (0.49) IMPDH2B3GNT2ROCK2ROCK1HDAC1
SCHEMBL3835811 0.74 POLB (0.56) IMPDH2B3GNT2ROCK2USP36CYP1A2
SCHEMBL3046746 0.73 VNN1 (0.57) IMPDH2USP36CYP2C19MEN1KMT2A
SCHEMBL3039120 0.72 POLB (0.58) IMPDH2ROCK2ROCK1HDAC1CYP2C9

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
EP-2108642-A1 JAK INHIBITOR Kyowa Hakko Kirin Co., Ltd. (JP) 2009-10-14 EP disclosed