SCHEMBL11728631

SCHEMBL11728631

CCOCC(O)CCCN(CCCCCCC(=O)O)S(C)(=O)=O

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 2/20 0.44
▸ FFAR1 O14842 2/20 0.44
▸ EPHX2 P34913 3/20 0.40
▸ KDM4C Q9H3R0 2/20 0.37
▸ KDM4A O75164 1/20 0.37
▸ PHF8 Q9UPP1 1/20 0.37
▸ KDM2A Q9Y2K7 1/20 0.37
▸ TBXAS1 P24557 1/20 0.35

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
SCHEMBL11731428 0.91 FFAR4 (0.47) FFAR4FFAR1EPHX2TBXAS1
SCHEMBL11728383 0.89 FFAR4 (0.48) FFAR4FFAR1EPHX2
SCHEMBL11730813 0.88 FFAR4 (0.40) FFAR4FFAR1EPHX2KDM4CKDM4A
SCHEMBL11728529 0.83 FFAR4 (0.36) FFAR4FFAR1EPHX2KDM4CKDM4A
SCHEMBL11602008 0.82 FFAR4 (0.69) FFAR4FFAR1
SCHEMBL11602010 0.82 FFAR4 (0.69) FFAR4FFAR1
SCHEMBL11601264 0.82 FFAR4 (0.69) FFAR4FFAR1
SCHEMBL4964157 0.82 FFAR4 (0.69) FFAR4FFAR1
SCHEMBL11729893 0.82 CA1 (0.44) —
Water SCHEMBL11728807 0.81 CA1 (0.43) —

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-4055596-A PHARMACEUTICALS MERCK & CO., INC. (US) 1977-10-25 — — US disclosed
US-3991106-A FOR ESTRUS SYNCHRONIZATION AND TREATMENT OF INFERTILITY MERCK & CO., INC. (US) 1976-11-09 — — US disclosed
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