SCHEMBL11730813

SCHEMBL11730813

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

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 1/20 0.40
▸ FFAR1 O14842 1/20 0.40
▸ KDM4C Q9H3R0 2/20 0.39
▸ KDM4A O75164 1/20 0.39
▸ PHF8 Q9UPP1 1/20 0.39
▸ KDM2A Q9Y2K7 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ EPHX2 P34913 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
SCHEMBL11728631 0.88 FFAR4 (0.44) FFAR4FFAR1KDM4CKDM4APHF8
SCHEMBL11731428 0.87 FFAR4 (0.47) FFAR4FFAR1EPHX2
SCHEMBL11728383 0.85 FFAR4 (0.48) FFAR4FFAR1EPHX2
SCHEMBL11601867 0.84 KDM4C (0.49) FFAR4FFAR1KDM4CKDM4APHF8
SCHEMBL11728529 0.82 FFAR4 (0.36) FFAR4FFAR1KDM4CKDM4APHF8
SCHEMBL11729893 0.81 CA1 (0.44) —
Water SCHEMBL11728800 0.80 CA1 (0.43) —
Water SCHEMBL11728807 0.80 CA1 (0.43) —
SCHEMBL11602008 0.79 FFAR4 (0.69) FFAR4FFAR1
SCHEMBL4964157 0.79 FFAR4 (0.69) FFAR4FFAR1

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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