SCHEMBL11602268

SCHEMBL11602268

CCCCCC(O)CCCN(CCCCCCC(=O)OC)S(C)(=O)=O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ FFAR4 Q5NUL3 1/20 0.48
▸ FFAR1 O14842 1/20 0.48
▸ KDM5A P29375 2/20 0.47
▸ FAAH O00519 2/20 0.44
▸ PPARG P37231 2/20 0.44
▸ CA12 O43570 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ CA14 Q9ULX7 1/20 0.43
▸ GPR84 Q9NQS5 1/20 0.42
▸ PPARA Q07869 1/20 0.41
▸ PABPC1 P11940 1/20 0.41
▸ APOBEC3A P31941 1/20 0.41
▸ APOBEC3G Q9HC16 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ DUSP3 P51452 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 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
SCHEMBL11601305 0.87 DNM1 (0.49) L3MBTL1FFAR4FFAR1KDM4EDUSP3
SCHEMBL4964157 0.85 FFAR4 (0.69) FFAR4FFAR1FAAHPPARGGPR84
SCHEMBL11602010 0.85 FFAR4 (0.69) FFAR4FFAR1FAAHPPARGGPR84
SCHEMBL11602008 0.85 FFAR4 (0.69) FFAR4FFAR1FAAHPPARGGPR84
SCHEMBL11601442 0.85 FFAR4 (0.51) FFAR4FFAR1FAAHGPR84MEN1
SCHEMBL11601264 0.85 FFAR4 (0.69) FFAR4FFAR1FAAHPPARGGPR84
SCHEMBL8620968 0.84 FFAR4 (0.65) L3MBTL1FFAR4FFAR1FAAHPPARG
SCHEMBL15153576 0.84 FFAR4 (0.65) L3MBTL1FFAR4FFAR1FAAHPPARG
SCHEMBL8586140 0.84 FFAR4 (0.65) L3MBTL1FFAR4FFAR1FAAHPPARG
SCHEMBL293897 0.84 FFAR4 (0.65) L3MBTL1FFAR4FFAR1FAAHPPARG

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
US-4091107-A RENAL VASODILATORS, ANTICLOTTING AGENTS, GROWTH HORMONE RELEASE, REGULATORS OF IMMUNE RESPONSE MERCK & CO., INC. (US) 1978-05-23 — — US disclosed
US-4033996-A RENAL VASODILATORS, ANTITHROMBOSIS, GROWTH HORMONE RELEASING MERCK & CO., INC. (US) 1977-07-05 — — US disclosed
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