SCHEMBL7661963

SCHEMBL7661963

CCC(O)(c1cc[nH]c(=O)c1)C(C(=O)O)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 1/20 0.33
GRM4 Q14833 1/20 0.33
NOTUM Q6P988 1/20 0.31
SCN8A Q9UQD0 2/20 0.30
SCN10A Q9Y5Y9 2/20 0.30
BTK Q06187 1/20 0.30
HSD11B1 P28845 1/20 0.30

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
SCHEMBL7241989 0.71 NOTUM (0.34) GRM8GRM4NOTUMSCN8ASCN10A
SCHEMBL24849937 0.71 NPC1 (0.46) NOTUMSCN8ASCN10ABTK
SCHEMBL30211315 0.70 NOTUM (0.39) NOTUMBTK
SCHEMBL7248539 0.67 JAK2 (0.32) SCN8ASCN10A
SCHEMBL2054595 0.67 NOTUM (0.42) NOTUMSCN8ASCN10ABTK
SCHEMBL5352433 0.64 GAA (0.33) NOTUMSCN8ASCN10A
SCHEMBL5550999 0.62 PPARA (0.52)
SCHEMBL24943297 0.61 NOTUM (0.37) NOTUMBTK
SCHEMBL31370128 0.60 OPRM1 (0.39) GRM8GRM4NOTUM
SCHEMBL31370114 0.60 OPRM1 (0.39) GRM8GRM4NOTUM

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-6436951-B1 3-HYDROXY-3-(4-OXO-4,6-DIHYDROINDOLIZINO (1,2-B) QUINOLINE-2-YL) PENTANOIC ACID, INHIBITING TOPOISOMERASE I AND/OR II; ANTITUMOR, PARASITICIDE; REACTING A PYRIDINONE WITH A QUINOLINE, CYCLIZATION, EPOXIDATION SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-08-20 US disclosed