SCHEMBL10337172

SCHEMBL10337172

CC(C)(Oc1ccccc1)C1OCC(C/C=C\CCC(=O)NS(C)(=O)=O)C(c2ccccc2O)O1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 17/20 0.56
▸ PTGIS Q16647 12/20 0.56
▸ CYP1A2 P05177 2/20 0.53
▸ CYP3A4 P08684 2/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ TBXA2R P21731 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ KMT2A Q03164 1/20 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
SCHEMBL10337091 0.91 TBXAS1 (0.54) TBXAS1PTGISCYP1A2CYP3A4CYP2C9
SCHEMBL10550302 0.89 CYP1A2 (0.57) TBXAS1PTGISCYP1A2CYP3A4CYP2C9
SCHEMBL10401364 0.88 TBXAS1 (0.70) TBXAS1PTGISCYP1A2CYP3A4CYP2C9
SCHEMBL10471087 0.81 TBXAS1 (0.77) TBXAS1PTGIS
SCHEMBL10550029 0.80 TBXAS1 (0.48) TBXAS1PTGISCYP1A2CYP3A4CYP2C9
SCHEMBL10558107 0.78 TBXA2R (0.49) TBXAS1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10337122 0.78 TBXAS1 (0.68) TBXAS1PTGISCYP1A2CYP3A4CYP2C9
SCHEMBL10401287 0.77 CYP1A2 (0.64) TBXAS1PTGISCYP1A2CYP3A4CYP2C9
SCHEMBL10350317 0.77 CYP1A2 (0.72) TBXAS1PTGISCYP1A2CYP3A4CYP2C9
SCHEMBL12675684 0.73 CYP1A2 (0.89) TBXAS1PTGISCYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0223518-B1 AMIDE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-09-26 — — EP claimed
US-4806563-A THROMBOXANE A2 ANTAGONIST IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-02-21 — — US claimed
EP-0223518-A1 Amide derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-05-27 — — EP claimed
EP-0223518-B1 AMIDE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-09-26 — — EP disclosed
US-4806563-A THROMBOXANE A2 ANTAGONIST IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-02-21 — — US disclosed
EP-0223518-A1 Amide derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-05-27 — — EP disclosed
Send feedback