SCHEMBL9535753

SCHEMBL9535753

O=c1[nH]c(-c2ccc3ccccc3c2)ccc1S(=O)(=O)O

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 17/20 0.50
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PIM1 P11309 1/20 0.41

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
SCHEMBL4431905 0.75 KDM4E (0.69) PTGER3ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL9533551 0.73 PTGER3 (0.50) PTGER3ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL9754413 0.73 PTGER3 (0.56) PTGER3ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL9536067 0.73 PTGER3 (0.50) PTGER3ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL28924649 0.73 TNKS (0.58) PTGER3ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL30160687 0.73 TNKS (0.58) PTGER3ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL9754390 0.72 PTGER3 (0.49) PTGER3ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL9535126 0.72 PTGER3 (0.54) PTGER3ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL9754387 0.72 PTGER3 (0.47) PTGER3PIM1
SCHEMBL9536812 0.72 ALDH1A1 (0.60) PTGER3ALDH1A1CYP1A2HPGDHSD17B10

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-0532531-A1 PHENOL AND PYRIDINOL DERIVATIVES AS PHARMACEUTICALS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-03-24 EP disclosed
WO-1991017987-A1 PHENOL AND PYRIDINOL DERIVATIVES AS PHARMACEUTICALS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-11-28 WO disclosed