SCHEMBL8969138

SCHEMBL8969138

COC(=O)CCc1ccc(C)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PTPN1 P18031 2/20 0.46
CYP4F2 P78329 2/20 0.45
CYP4A11 Q02928 2/20 0.45
CNR1 P21554 1/20 0.44
ALOX5 P09917 1/20 0.44
OR51E2 Q9H255 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
FFAR4 Q5NUL3 2/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43

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
SCHEMBL23315526 0.90 HPGD (0.48) NPC1RAB9ASMN1; SMN2CYP4F2CYP4A11
Phenyl Propionic Acid SCHEMBL28555657 0.88 FFAR4 (0.58) PTPN1FFAR4FFAR1
SCHEMBL12370801 0.87 HRH3 (0.49) NPC1RAB9ASMN1; SMN2PTPN1CYP4F2
SCHEMBL27972225 0.86 APP (0.51) PTPN1CYP4F2CYP4A11ALOX5OR51E2
SCHEMBL18269500 0.86 ALOX5 (0.53) PTPN1CYP4F2CYP4A11ALOX5OR51E2
SCHEMBL29901118 0.85 CYP4F2 (0.45) NPC1RAB9ASMN1; SMN2PTPN1CYP4F2
SCHEMBL1255726 0.85 PTPN1 (0.46) PTPN1CYP4F2CYP4A11ALOX5OR51E2
SCHEMBL14461366 0.85 RAB9A (0.48) RAB9APTPN1CYP4F2CYP4A11ALDH1A1
SCHEMBL18744079 0.85 ALOX5 (0.55) SMN1; SMN2ALOX5OR51E2POLBALDH1A1
SCHEMBL14901973 0.85 PTPN1 (0.43) NPC1RAB9ASMN1; SMN2PTPN1CYP4F2

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-5492887-A HYDROFORMYLATION; REDUCTION; OXIDATION; HYDROGENATION; SEPARATION; INCREASING EXO/ENDO RATIO USING BASE CATALYSIS DRAGOCO GERBERDING & CO. GMBH (DE) 1996-02-20 US disclosed