SCHEMBL11791379

SCHEMBL11791379

CC(C)CCCC(O)CCCN(CCCCCCC(=O)O)C(N)=S

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 4/20 0.47
▸ KDM4A O75164 3/20 0.47
▸ PHF8 Q9UPP1 2/20 0.47
▸ KDM2A Q9Y2K7 2/20 0.47
▸ FFAR4 Q5NUL3 2/20 0.45
▸ FFAR1 O14842 2/20 0.45
▸ EPHX2 P34913 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ BLM P54132 1/20 0.34
▸ TBXA2R P21731 1/20 0.34
▸ PTGFR P43088 1/20 0.34
▸ PTGER2 P43116 1/20 0.34
▸ KDM5A P29375 1/20 0.33
▸ KDM7A Q6ZMT4 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
SCHEMBL11796795 0.86 FFAR4 (0.65) FFAR4FFAR1ALDH1A1TBXA2RPTGFR
SCHEMBL11795088 0.86 FFAR4 (0.65) FFAR4FFAR1ALDH1A1TBXA2RPTGFR
SCHEMBL11786835 0.85 KDM4C (0.50) KDM4CKDM4APHF8KDM2AFFAR4
SCHEMBL11601867 0.78 KDM4C (0.49) KDM4CKDM4APHF8KDM2AFFAR4
SCHEMBL11795163 0.77 KDM4C (0.48) KDM4CKDM4APHF8KDM2AFFAR4
SCHEMBL11743888 0.76 FFAR4 (0.56) KDM4CKDM4APHF8KDM2AFFAR4
SCHEMBL11791284 0.75 FFAR4 (0.69) FFAR4FFAR1ALDH1A1TBXA2RPTGFR
SCHEMBL11791279 0.75 FFAR4 (0.69) FFAR4FFAR1ALDH1A1TBXA2RPTGFR
SCHEMBL11791276 0.75 FFAR4 (0.69) FFAR4FFAR1ALDH1A1TBXA2RPTGFR
SCHEMBL11795156 0.74 FFAR4 (0.46) KDM4CKDM4APHF8KDM2AFFAR4

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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