SCHEMBL3246286

SCHEMBL3246286

CS(=O)(=O)c1ccc(-c2cc(OC(=O)O)sc2-c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.48
PTGS1 P23219 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MT-CO1 P00395 1/20 0.47
MT-CO2 P00403 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MC4R P32245 1/20 0.40

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
SCHEMBL3246285 0.83 PTGS2 (0.51) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL2349058 0.74 CA12 (0.66) PTGS2PTGS1KDM4ECYP2C19
SCHEMBL7617599 0.72 PTGS2 (0.64) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL34837 0.72 CA2 (0.61) PTGS2TSHRCYP2C19
SCHEMBL8985490 0.72 PTGS2 (0.67) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985304 0.72 PTGS2 (0.55) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985337 0.71 PTGS2 (0.52) PTGS2PTGS1KDM4EMT-CO1MT-CO2
Hydrochloric Acid SCHEMBL11213950 0.71 CA2 (0.59) PTGS2TSHRCYP2C19
SCHEMBL8985205 0.69 PTGS2 (0.55) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL3199738 0.69 LMNA (0.54) PTGS2TSHR

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-1390026-B1 TREATMENT OF HPV CAUSED DISEASES CORNELL RES FOUNDATION INC (US) 2010-05-05 EP claimed