SCHEMBL11732298

SCHEMBL11732298

CCCCC[C@H](O)CCN1C(=O)CSC1CCCCCCC(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 13/20 0.45
PTGER4 P35408 5/20 0.45
PTGER3 P43115 5/20 0.45
L3MBTL1 Q9Y468 1/20 0.40
PPARG P37231 3/20 0.39
TDP1 Q9NUW8 2/20 0.38
TBXA2R P21731 1/20 0.38
PTGFR P43088 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
FFAR1 O14842 1/20 0.38
PPARA Q07869 1/20 0.37
NR2E3 Q9Y5X4 1/20 0.36
NCOR2 Q9Y618 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
SCHEMBL11727905 1.00 PTGER2 (0.45) PTGER2PTGER4PTGER3L3MBTL1PPARG
SCHEMBL11732308 1.00 PTGER2 (0.45) PTGER2PTGER4PTGER3L3MBTL1PPARG
SCHEMBL11727535 0.89 PTGER4 (0.57) PTGER2PTGER4PTGER3TBXA2RPTGFR
SCHEMBL5852489 0.89 PTGER4 (0.57) PTGER2PTGER4PTGER3TBXA2RPTGFR
SCHEMBL11727526 0.89 PTGER4 (0.57) PTGER2PTGER4PTGER3TBXA2RPTGFR
SCHEMBL11727538 0.89 PTGER4 (0.57) PTGER2PTGER4PTGER3TBXA2RPTGFR
SCHEMBL11737293 0.88 PTGER2 (0.36) PTGER2PTGER4PTGER3L3MBTL1PPARG
SCHEMBL11729341 0.88 PTGER2 (0.39) PTGER2PTGER4PTGER3L3MBTL1PPARG
SCHEMBL11730961 0.84 MAPT (0.39) PTGER2PTGER4PTGER3L3MBTL1PPARG
SCHEMBL11732351 0.83 PTGER2 (0.37) PTGER2PTGER4PTGER3TBXA2RPTGFR

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-4022794-A VASODILATION MERCK & CO., INC. (US) 1977-05-10 US disclosed