SCHEMBL9528642

SCHEMBL9528642

CC(=O)OC(C)(C)CCC(O)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.65
LMNA P02545 1/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
BCAT2 O15382 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ADRB3 P13945 2/20 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
SCHEMBL28808824 0.88 RIPK1 (0.65) RIPK1LMNAPPARGPPARABCAT2
SCHEMBL13744313 0.81 RIPK1 (0.42) RIPK1LMNAALDH1A1CYP3A4NPC1
SCHEMBL22624001 0.79 RIPK1 (1.00) RIPK1LMNA
SCHEMBL22623858 0.79 RIPK1 (1.00) RIPK1LMNA
SCHEMBL27945599 0.74 RIPK1 (0.46) RIPK1CNR1CNR2SMN1; SMN2
SCHEMBL27741015 0.74 RIPK1 (0.60) RIPK1CNR1CNR2BCAT2SMN1; SMN2
SCHEMBL27964869 0.74 RIPK1 (0.46) RIPK1LMNABCAT2NPC1RAB9A
SCHEMBL873380 0.73 ALDH1A1 (0.48) ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8743244 0.73 RIPK1 (0.49) RIPK1LMNAMTNR1AMTNR1BALDH1A1
SCHEMBL8743250 0.73 RIPK1 (0.49) RIPK1LMNAMTNR1AMTNR1BALDH1A1

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-0531382-A1 N-SUBSTITUTED-1,2,4-TRIAZOLONE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1993-03-17 EP disclosed