SCHEMBL9601318

SCHEMBL9601318

Cc1cc(C)c(CN)c(-c2ccc(Cl)c(Cl)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AHR P35869 5/20 0.43
ALKBH3 Q96Q83 1/20 0.41
RAPGEF4 Q8WZA2 1/20 0.39
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
HSD11B1 P28845 1/20 0.37
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
DHFR P00374 1/20 0.36
DPP4 P27487 2/20 0.36
CYP1B1 Q16678 1/20 0.36
IKBKB O14920 2/20 0.36
HRH1 P35367 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PRKCZ Q05513 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 0.77 PTGS2 (0.43)
SCHEMBL9600773 0.77 CNR1 (0.34) RAPGEF4DPP4
SCHEMBL9601795 0.77 DPP4 (0.43) DPP4
SCHEMBL9602614 0.75 IKBKB (0.45) AHRAKR1C3AKR1C2DPP4CYP1B1
SCHEMBL26566694 0.73 TSHR (0.38) RAPGEF4RAB9A
SCHEMBL10743288 0.71 ALKBH3 (0.44) AHRALKBH3RAPGEF4AKR1C3AKR1C2
SCHEMBL9602073 0.70 PTGS2 (0.42) SLC1A3SLC1A2SLC1A1
SCHEMBL111999 0.70 HRH3 (0.40) RAPGEF4
Hydrochloric Acid SCHEMBL7894748 0.68 LMNA (0.42) RAPGEF4
SCHEMBL26327407 0.67 PTGS2 (0.43) AHRALKBH3RAPGEF4AKR1C3AKR1C2

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