SCHEMBL8976501

SCHEMBL8976501

CCCCCCCCCCC#Cc1ccc(C(O)C(CO)NC(=O)O)s1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37

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
SCHEMBL7689064 0.91 TP53 (0.40)
SCHEMBL7680697 0.91 TP53 (0.40)
SCHEMBL8976852 0.89 DEGS1 (0.34)
SCHEMBL9084253 0.86 SPHK2 (0.36)
Maleic Acid SCHEMBL7685182 0.86 FFAR1 (0.35) FFAR1FFAR4
SCHEMBL9083854 0.86 CYP3A4 (0.36)
SCHEMBL7685279 0.85 KCNH2 (0.34)
Acetic Acid SCHEMBL7682724 0.81
Acetic Acid SCHEMBL7689911 0.81
Acetic Acid SCHEMBL7686755 0.81

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-5534636-A ANTIINFLAMMATORY AGENTS, ANTITUMOR AGENT, COGNITION ACTIVATORS,BACTERICIDES, AND FUNGICIDES HOECHST ROUSSEL PHARMACEUTICALS INC. (US) 1996-07-09 US disclosed