SCHEMBL11601305

SCHEMBL11601305

CCCCCCCCCCOC(=O)CCCCCCN(CCCC(O)CCCCC)S(C)(=O)=O

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DNM1 Q05193 1/20 0.49
▸ DGKA P23743 1/20 0.49
▸ FFAR4 Q5NUL3 1/20 0.46
▸ FFAR1 O14842 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ DUSP3 P51452 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ PRSS1 P07477 1/20 0.44
▸ PRSS2 P07478 1/20 0.44
▸ PRSS3 P35030 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MAPT P10636 1/20 0.43
▸ NAAA Q02083 1/20 0.42

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
SCHEMBL11602268 0.87 L3MBTL1 (0.52) FFAR4FFAR1KDM4EDUSP3MEN1
SCHEMBL3824936 0.85 DGKA (0.67) DNM1DGKAFFAR4FFAR1KDM4E
SCHEMBL3149124 0.85 DGKA (0.67) DNM1DGKAFFAR4FFAR1KDM4E
Cetyl Palmitate SCHEMBL8901008 0.85 DGKA (0.67) DNM1DGKAFFAR4FFAR1KDM4E
SCHEMBL3486775 0.85 DGKA (0.67) DNM1DGKAFFAR4FFAR1KDM4E
SCHEMBL8417466 0.85 DGKA (0.67) DNM1DGKAFFAR4FFAR1KDM4E
SCHEMBL15010250 0.85 DGKA (0.67) DNM1DGKAFFAR4FFAR1KDM4E
SCHEMBL3487638 0.85 DGKA (0.67) DNM1DGKAFFAR4FFAR1KDM4E
SCHEMBL3486739 0.85 DGKA (0.67) DNM1DGKAFFAR4FFAR1KDM4E
SCHEMBL15013489 0.85 DGKA (0.67) DNM1DGKAFFAR4FFAR1KDM4E

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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