Sugi Predict

Sugi Predict / Compounds / Toluic Acid

Toluic Acid

Toluic Acid

SCHEMBL117757

Cc1ccc(C(=O)OC(c2ccccc2)C(CN)C(=O)Nc2ccc3cnccc3c2)c(C)c1.Cc1ccccc1C(=O)O

nearest known ligand 0.60

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Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 20/20 0.60
▸ ROCK1 Q13464 5/20 0.57

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
SCHEMBL114227 0.84 ROCK2 (0.56) ROCK2ROCK1
SCHEMBL118441 0.78 ROCK2 (0.62) ROCK2ROCK1
SCHEMBL22002322 0.75 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL2774994 0.74 ROCK2 (0.84) ROCK2ROCK1
SCHEMBL115610 0.74 ROCK2 (0.55) ROCK2ROCK1
SCHEMBL23927643 0.74 ROCK2 (0.64) ROCK2ROCK1
SCHEMBL22002219 0.74 ROCK2 (0.82) ROCK2ROCK1
Netarsudil SCHEMBL21679903 0.73 ROCK2 (1.00) ROCK2ROCK1
Netarsudil SCHEMBL16037348 0.73 ROCK2 (1.00) ROCK2ROCK1
Netarsudil SCHEMBL114266 0.73 ROCK2 (1.00) 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