SCHEMBL118246

SCHEMBL118246

Cc1cc(C)cc(CC(=O)Oc2ccc(C(C(=O)Nc3ccc4cnccc4c3)C(N)C(C(=O)O)c3ccc(C)cc3C)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 20/20 0.55
ROCK1 Q13464 4/20 0.48

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
SCHEMBL13074767 0.80 ROCK2 (0.80) ROCK2ROCK1
SCHEMBL13074678 0.74 ROCK2 (0.77) ROCK2ROCK1
SCHEMBL118247 0.73 ROCK2 (0.59) ROCK2ROCK1
SCHEMBL19921898 0.72 ROCK2 (0.75) ROCK2ROCK1
SCHEMBL116119 0.71 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL169302 0.71 ROCK2 (0.51) ROCK2ROCK1
SCHEMBL22002322 0.70 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL13074677 0.69 ROCK2 (0.78) ROCK2ROCK1
SCHEMBL21680089 0.69 ROCK2 (0.73) ROCK2ROCK1
SCHEMBL118245 0.68 ROCK2 (0.52) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424857-A1 DUAL-ACTION INHIBITORS AND METHODS OF USING SAME Aerie Pharmaceuticals, Inc. (US) 2012-03-07 EP disclosed
WO-2010127329-A1 DUAL-ACTION INHIBITORS AND METHODS OF USING SAME AERIE PHARMACEUTICALS, INC. (US) 2010-11-04 WO disclosed
WO-2010127330-A1 DUAL-ACTION INHIBITORS AND METHODS OF USING SAME AERIE PHAMACEUTICALS, INC. (US) 2010-11-04 WO disclosed