SCHEMBL8773680

SCHEMBL8773680

O=C(O)CCc1ccc(C(=O)CBr)cc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
GSK3B P49841 8/20 0.55
PTPN1 P18031 5/20 0.55
KEAP1 Q14145 1/20 0.55
SRD5A2 P31213 1/20 0.50
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
HSD17B10 Q99714 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49

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
SCHEMBL7825403 0.82 L3MBTL1 (0.62) FFAR1L3MBTL1KEAP1SRD5A2CA1
SCHEMBL69746 0.81 FFAR1 (0.81) FFAR1L3MBTL1KEAP1CA1CA2
SCHEMBL8594119 0.81 THRA (0.57) FFAR1L3MBTL1GSK3BKEAP1SRD5A2
SCHEMBL392969 0.80 GSK3B (0.59) FFAR1GSK3BPTPN1SRD5A2CA2
SCHEMBL264975 0.79 FFAR1 (0.65) FFAR1L3MBTL1KEAP1SRD5A2CA1
SCHEMBL3364938 0.79 FFAR1 (0.65) FFAR1L3MBTL1KEAP1CA1CA2
SCHEMBL27301663 0.79 FFAR1 (0.65) FFAR1L3MBTL1KEAP1CA1CA2
SCHEMBL13131233 0.79 GSK3B (0.64) GSK3BPTPN1
Hydrochloric Acid SCHEMBL9777963 0.79 FFAR1 (0.55) FFAR1L3MBTL1KEAP1SRD5A2CA1
SCHEMBL168856 0.79 GSK3B (0.54) L3MBTL1GSK3BPTPN1

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
EP-0695287-B1 FULLERENE DERIVATIVES, METHODS OF PREPARING THEM AND THEIR USE HOECHST AG (DE) 1997-10-29 EP disclosed