SCHEMBL7839019

SCHEMBL7839019

O=C1NC(Cc2ccc(OCCc3cccc(CO)n3)cc2)C(=O)S1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.42
CYP3A4 P08684 1/20 0.41
RXRA P19793 1/20 0.41
HPGD P15428 1/20 0.38
KCNH2 Q12809 1/20 0.37
FFAR1 O14842 6/20 0.37
PPARA Q07869 2/20 0.37
HRH3 Q9Y5N1 1/20 0.36
ITGB1 P05556 3/20 0.36
ITGA5 P08648 3/20 0.36
ITGB3 P05106 3/20 0.35
ITGAV P06756 3/20 0.35

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
SCHEMBL1220487 0.89 PPARG (0.47) PPARGCYP3A4RXRAHPGDKCNH2
SCHEMBL8196247 0.87 PPARG (0.42) PPARGCYP3A4RXRAHPGDKCNH2
SCHEMBL8791799 0.84 HPGD (0.54) PPARGCYP3A4RXRAHPGDFFAR1
SCHEMBL9311838 0.82 FFAR1 (0.43) PPARGCYP3A4RXRAFFAR1
SCHEMBL7839014 0.81 PPARG (0.64) PPARGCYP3A4RXRAHPGDFFAR1
SCHEMBL9803869 0.81 FFAR1 (0.42) PPARGCYP3A4RXRAHPGDFFAR1
SCHEMBL8791594 0.79 PPARG (0.41) PPARGCYP3A4RXRAHPGDKCNH2
SCHEMBL5805537 0.79 PPARG (0.53) PPARGCYP3A4RXRAHRH3
SCHEMBL9326656 0.79 HRH3 (0.48) PPARGHPGDFFAR1PPARAHRH3
SCHEMBL8792213 0.78 PPARG (0.52) PPARGCYP3A4RXRAHPGDFFAR1

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-0579733-B1 THIAZOLIDINEDIONE DERIVATIVES, PRODUCTION AND USE THEREOF UPJOHN CO (US) 2001-06-20 EP disclosed