SCHEMBL9529604

SCHEMBL9529604

FC(F)(F)c1cccc(OCCON=C(c2ccccc2)c2ccncc2)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 15/20 0.52
TBXAS1 P24557 8/20 0.52
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MRGPRX4 Q96LA9 1/20 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
SCHEMBL9531940 0.90 TBXA2R (0.65) TBXA2RTBXAS1
SCHEMBL9528881 0.87 TBXA2R (0.52) TBXA2RTBXAS1L3MBTL1MRGPRX4
SCHEMBL9527590 0.84 ALDH1A1 (0.58) TBXA2RTBXAS1ALDH1A1CYP1A2CYP3A4
SCHEMBL9529601 0.76 SLC2A1 (0.42) L3MBTL1ALDH1A1
SCHEMBL9529177 0.76 ALDH1A1 (0.52) TBXA2RTBXAS1L3MBTL1ALDH1A1CYP1A2
SCHEMBL10406688 0.76 ALDH1A1 (0.60) TBXA2RTBXAS1ALDH1A1CYP1A2CYP3A4
SCHEMBL9530560 0.73 TBXAS1 (0.58) TBXA2RTBXAS1ALDH1A1
SCHEMBL9528734 0.71 TBXA2R (0.72) TBXA2RTBXAS1
SCHEMBL8805695 0.71 TBXAS1 (0.56) TBXA2RTBXAS1ALDH1A1
SCHEMBL8805691 0.71 TBXAS1 (0.56) TBXA2RTBXAS1ALDH1A1

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-0366006-B1 PYRIDYLKETOXIME ETHER COMPOUND AND PHARMACEUTICAL COMPOSITION CONTAINING IT KAKEN PHARMACEUTICAL CO., LTD. (JP) 1993-09-29 EP disclosed
US-4971985-A ANTIISCHEMIC AGENTS, CARDIOVASCULAR DISORDERS KAKEN PHARMACEUTICAL CO., LTD. (JP) 1990-11-20 US disclosed