SCHEMBL11601969

SCHEMBL11601969

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

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 2/20 0.46
▸ FFAR1 O14842 2/20 0.46
▸ ACACB O00763 1/20 0.40
▸ ACACA Q13085 1/20 0.40
▸ EPHX2 P34913 1/20 0.36
▸ KDM4C Q9H3R0 2/20 0.35
▸ KDM4A O75164 1/20 0.35
▸ PHF8 Q9UPP1 1/20 0.35
▸ KDM2A Q9Y2K7 1/20 0.35
▸ TBXA2R P21731 1/20 0.34
▸ PTGFR P43088 1/20 0.34
▸ PTGER2 P43116 1/20 0.34

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
SCHEMBL11603782 0.85 FFAR4 (0.47) FFAR4FFAR1ACACBACACAKDM4C
SCHEMBL11602010 0.84 FFAR4 (0.69) FFAR4FFAR1TBXA2RPTGFRPTGER2
SCHEMBL11602008 0.84 FFAR4 (0.69) FFAR4FFAR1TBXA2RPTGFRPTGER2
SCHEMBL11601264 0.84 FFAR4 (0.69) FFAR4FFAR1TBXA2RPTGFRPTGER2
SCHEMBL4964157 0.84 FFAR4 (0.69) FFAR4FFAR1TBXA2RPTGFRPTGER2
SCHEMBL11601867 0.84 KDM4C (0.49) FFAR4FFAR1EPHX2KDM4CKDM4A
SCHEMBL11786145 0.82 FFAR4 (0.47) FFAR4FFAR1ACACBACACAKDM4C
SCHEMBL11604163 0.81 ABCC4 (0.49) FFAR4FFAR1EPHX2
SCHEMBL11795156 0.81 FFAR4 (0.46) FFAR4FFAR1ACACBACACAKDM4C
SCHEMBL11792462 0.80 FFAR4 (0.45) FFAR4FFAR1ACACBACACAKDM4C

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4033996-A RENAL VASODILATORS, ANTITHROMBOSIS, GROWTH HORMONE RELEASING MERCK & CO., INC. (US) 1977-07-05 — — US claimed
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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