SCHEMBL8976852

SCHEMBL8976852

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

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 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
SCHEMBL7680697 0.89 TP53 (0.40)
SCHEMBL8976501 0.89 FFAR1 (0.37)
SCHEMBL7689064 0.89 TP53 (0.40)
SCHEMBL9084253 0.87 SPHK2 (0.36)
Maleic Acid SCHEMBL7685182 0.84 FFAR1 (0.35)
SCHEMBL9083854 0.84 CYP3A4 (0.36) DEGS1
SCHEMBL7685279 0.84 KCNH2 (0.34)
SCHEMBL9083153 0.78
SCHEMBL7680693 0.78
SCHEMBL7682802 0.78

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