SCHEMBL11799699

SCHEMBL11799699

C=CCCCC(O)CCCN(C#N)CCCCCCC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.49
▸ ABCC4 O15439 1/20 0.49
▸ FFAR4 Q5NUL3 2/20 0.41
▸ FFAR1 O14842 2/20 0.41
▸ EPHX2 P34913 4/20 0.34
▸ USP2 O75604 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ GSTK1 Q9Y2Q3 1/20 0.33

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
SCHEMBL11795536 0.81 FFAR4 (0.67) FFAR4FFAR1ALDH1A1
SCHEMBL11793908 0.81 FFAR4 (0.67) FFAR4FFAR1ALDH1A1
SCHEMBL11795163 0.81 KDM4C (0.48) FFAR4FFAR1EPHX2GSTK1
SCHEMBL11786566 0.80 MAPT (0.50) MAPTABCC4FFAR4FFAR1EPHX2
SCHEMBL11792939 0.80 MAPT (0.50) MAPTABCC4FFAR4FFAR1EPHX2
SCHEMBL11792462 0.80 FFAR4 (0.45) FFAR4FFAR1GSTK1
SCHEMBL11604163 0.79 ABCC4 (0.49) MAPTABCC4FFAR4FFAR1EPHX2
SCHEMBL18955685 0.78 MAPT (0.74) MAPTABCC4FFAR4FFAR1USP2
SCHEMBL4412671 0.78 MAPT (0.74) MAPTABCC4FFAR4FFAR1USP2
SCHEMBL11793752 0.78 FFAR4 (0.43) FFAR4FFAR1GSTK1

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-3989749-A RENAL VASODILATORS, ANTITHROMBUS MERCK & CO., INC. (US) 1976-11-02 — — US disclosed
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