SCHEMBL9601795

SCHEMBL9601795

Cc1cc(C)c(CN)c(-c2ccc(F)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.43
LOXL2 Q9Y4K0 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
ACHE P22303 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
MAOB P27338 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GRM2 Q14416 1/20 0.34
HPGD P15428 1/20 0.34
PPARG P37231 1/20 0.34
MCL1 Q07820 1/20 0.34
PTK2B Q14289 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NR2E3 Q9Y5X4 1/20 0.34
NCOR2 Q9Y618 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
SCHEMBL9602188 0.83 PTGS2 (0.43) PTGS1PTGS2
SCHEMBL9600773 0.80 CNR1 (0.34) DPP4KDM4EALDH1A1
SCHEMBL9601318 0.77 AHR (0.43) DPP4
SCHEMBL29406938 0.74 ACHE (0.44) ACHEPTGS1PTGS2KDM4EGRM2
SCHEMBL111999 0.72 HRH3 (0.40) KDM4EALDH1A1
SCHEMBL17888169 0.71 HTR1D (0.38) KDM4EALDH1A1
SCHEMBL12496670 0.70 LOXL2 (0.52) LOXL2PTGS1PTGS2MAOB
SCHEMBL5171324 0.70 PTGS2 (0.44) PTGS1PTGS2
Hydrochloric Acid SCHEMBL7894748 0.70 LMNA (0.42) KDM4EALDH1A1
SCHEMBL27887044 0.70 ACHE (0.50) ACHEPTGS2KDM4EGRM2HPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0318181-B1 N-(Biphenylmethyl)-3-hydroxyglutaramic acids and derivatives as hypocholesterolemic agents PFIZER (US) 1993-06-16 EP disclosed
US-5169976-A N-(biphenylmethyl)-3-hydroxyglutaramic acid and derivatives as hypocholesterolemic agents PFIZER INC. (US) 1992-12-08 US disclosed
WO-1989004821-A1 N-(BIPHENYLMETHYL)-3-HYDROXYGLUTARAMIC ACID AND DERIVATIVES AS HYPOCHOLESTEROLEMIC AGENTS PFIZER INC. (US) 1989-06-01 WO disclosed
EP-0318181-A2 N-(Biphenylmethyl)-3-hydroxyglutaramic acids and derivatives as hypocholesterolemic agents PFIZER INC. (US) 1989-05-31 EP disclosed