SCHEMBL8011326

SCHEMBL8011326

O=C(O)/C=C/c1cc(N2C(=O)C3=C(CCCC3)C2=O)ccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 2/20 0.42
PPOX P50336 1/20 0.40
PTGER1 P34995 2/20 0.39
PTGER3 P43115 2/20 0.39
PTGER2 P43116 2/20 0.39
TBXA2R P21731 1/20 0.39
PTGER4 P35408 1/20 0.39
PTGFR P43088 1/20 0.39
PTGIR P43119 1/20 0.39
MDM2 Q00987 1/20 0.38
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
EGFR P00533 1/20 0.36

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
SCHEMBL8011328 1.00 PTGDR (0.42) PTGDRPPOXPTGER1PTGER3PTGER2
SCHEMBL25395175 1.00 PTGDR (0.42) PTGDRPPOXPTGER1PTGER3PTGER2
SCHEMBL3676780 0.89 PPOX (0.38) PTGDRPPOX
SCHEMBL3676778 0.89 PPOX (0.38) PTGDRPPOX
SCHEMBL7892824 0.81 PPOX (0.39) PPOX
SCHEMBL3676781 0.81 PPOX (0.39) PPOXCA12CA1CA9
SCHEMBL3676777 0.81 PPOX (0.39) PPOXCA12CA1CA9
SCHEMBL7162462 0.81 PPOX (0.45) PPOX
SCHEMBL9775529 0.80 PPOX (0.38) PPOXCA12CA1CA9
SCHEMBL24293381 0.78 PPOX (0.40) PPOXCA9

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
US-6117822-A AS HERBICIDES AND PLANT DESICCANTS AND/OR DEFOLIANTS BASF AKTIENGESELLSCHAFT (DE) 2000-09-12 US disclosed