SCHEMBL11737293

SCHEMBL11737293

COC(=O)CCCCCCC1SCC(=O)N1CCC(O)CCCCC(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 10/20 0.36
TDP1 Q9NUW8 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
PPARG P37231 2/20 0.34
NR2E3 Q9Y5X4 2/20 0.34
NCOR2 Q9Y618 2/20 0.34
MAPT P10636 1/20 0.34
PTGER4 P35408 4/20 0.34
PTGER3 P43115 4/20 0.34
PABPC1 P11940 1/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
KAT2B Q92831 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL11726376 0.88 PTGER4 (0.42) PTGER2PTGER4PTGER3
SCHEMBL11727905 0.88 PTGER2 (0.45) PTGER2TDP1L3MBTL1PPARGNR2E3
SCHEMBL11732308 0.88 PTGER2 (0.45) PTGER2TDP1L3MBTL1PPARGNR2E3
SCHEMBL11732298 0.88 PTGER2 (0.45) PTGER2TDP1L3MBTL1PPARGNR2E3
SCHEMBL11655543 0.82 TDP1 (0.32) TDP1L3MBTL1PPARGNR2E3NCOR2
SCHEMBL11729341 0.81 PTGER2 (0.39) PTGER2TDP1L3MBTL1PPARGNR2E3
SCHEMBL11662998 0.81 PTGER4 (0.49) PTGER2PTGER4PTGER3
SCHEMBL11730961 0.79 MAPT (0.39) PTGER2TDP1L3MBTL1PPARGNR2E3
SCHEMBL11733544 0.78 ADRB2 (0.39) PTGER2PTGER3
SCHEMBL11727535 0.77 PTGER4 (0.57) PTGER2PTGER4PTGER3

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