SCHEMBL11601964

SCHEMBL11601964

CC(C)(C)CCCC(O)CCCCS(=O)(=O)NCCCCCCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.47
FFAR1 O14842 1/20 0.47
ACACB O00763 1/20 0.40
ACACA Q13085 1/20 0.40
FABP4 P15090 4/20 0.39
ALDH1A1 P00352 2/20 0.38
TBXA2R P21731 1/20 0.38
FAAH O00519 1/20 0.37
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL11601260 0.87 FFAR4 (0.65) FFAR4FFAR1FABP4ALDH1A1TBXA2R
SCHEMBL11602007 0.87 FFAR4 (0.65) FFAR4FFAR1FABP4ALDH1A1TBXA2R
SCHEMBL11603779 0.86 FFAR4 (0.42) FFAR4FFAR1ACACBACACAFABP4
SCHEMBL11601862 0.86 FFAR4 (0.48) FFAR4FFAR1FABP4ALDH1A1TBXA2R
SCHEMBL11604162 0.81 MAPT (0.46) FFAR4FFAR1FABP4ALDH1A1TBXA2R
SCHEMBL11603852 0.81 FFAR4 (0.43) FFAR4FFAR1FABP4ALDH1A1
SCHEMBL11734582 0.81 FFAR4 (0.46) FFAR4FFAR1FABP4ALDH1A1FAAH
SCHEMBL11728625 0.80 FFAR4 (0.44) FFAR4FFAR1FABP4ALDH1A1TBXA2R
SCHEMBL11730812 0.79 FFAR4 (0.40) FFAR4FFAR1FABP4ALDH1A1TBXA2R
SCHEMBL11731423 0.79 FFAR4 (0.47) FFAR4FFAR1FAAH

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