SCHEMBL16290182

SCHEMBL16290182

COc1ccccc1[C@H]1O[C@@H](c2c(Cl)cccc2Cl)OC[C@H]1CC=CCCC(=O)O

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TBXA2R P21731 3/20 0.65
▸ MEN1 O00255 1/20 0.65
▸ CYP1A2 P05177 1/20 0.65
▸ CYP3A4 P08684 1/20 0.65
▸ CYP2D6 P10635 1/20 0.65
▸ KMT2A Q03164 1/20 0.65
▸ TBXAS1 P24557 15/20 0.59
▸ PTGIS Q16647 4/20 0.53
▸ PDE9A O76083 2/20 0.45

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
SCHEMBL12330325 1.00 TBXA2R (0.65) TBXA2RMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL16290072 1.00 TBXA2R (0.65) TBXA2RMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL12330322 0.95 TBXA2R (0.61) TBXA2RMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL2934087 0.93 TBXA2R (0.76) TBXA2RMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL2941082 0.93 TBXA2R (0.76) TBXA2RMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL1897768 0.93 TBXA2R (0.76) TBXA2RMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL12329914 0.93 TBXA2R (0.76) TBXA2RMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL2934089 0.93 TBXA2R (0.76) TBXA2RMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL2940115 0.93 TBXA2R (0.76) TBXA2RMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL1895403 0.93 TBXA2R (0.76) TBXA2RMEN1CYP1A2CYP3A4CYP2D6

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-1976509-B1 PPAR MODULATORS EVOLVA SA (CH) 2014-12-17 — — EP claimed
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