SCHEMBL7141077

SCHEMBL7141077

CC(C)(Cc1[nH]c2ccc(Cc3ccc4ccccc4n3)cc2c1Cc1ccc(Cl)cc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 18/20 0.48
SIRT2 Q8IXJ6 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
ALOX5 P09917 2/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL2107856 0.83 ALOX5AP (0.60) ALOX5APALOX5PTGS1PTGS2CYP3A4
SCHEMBL9212984 0.76 ALOX5AP (0.51) ALOX5APALOX5PTGS1PTGS2CYP3A4
SCHEMBL1811551 0.76 ALOX5AP (0.60) ALOX5APALOX5PTGS1PTGS2CYP3A4
SCHEMBL9043810 0.75 ALOX5AP (0.47) ALOX5APALOX5PTGS1PTGS2CYP3A4
SCHEMBL2589634 0.73 ALOX5AP (0.51) ALOX5APALOX5PTGS1PTGS2CYP3A4
SCHEMBL6112133 0.73 ALOX5AP (0.60) ALOX5APALOX5PTGS1PTGS2CYP3A4
SCHEMBL4604394 0.72 ALOX5AP (0.56) ALOX5APALOX5PTGS1PTGS2CYP3A4
SCHEMBL15264572 0.71 ALOX5AP (0.57) ALOX5APALOX5PTGS1PTGS2CYP3A4
SCHEMBL9044721 0.70 ALOX5AP (0.45) ALOX5APALOX5PTGS1PTGS2CYP3A4
SCHEMBL17663970 0.70 PTK2 (0.48)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1283836-A2 NEUROPROTECTIVE AND ANTI-PROLIFERATIVE COMPOUNDS Aegera Therapeutics Inc. (CA) 2003-02-19 EP disclosed
WO-2001087887-A2 NEUROPROTECTIVE AND ANTI-PROLIFERATIVE COMPOUNDS AEGERA THERAPEUTICS INC. (CA) 2001-11-22 WO disclosed