SCHEMBL9110574

SCHEMBL9110574

CCCCCCCN(C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1cccc(OC(C)(C)C(=O)OCC)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.39
PPARG P37231 3/20 0.39
LMNA P02545 1/20 0.38
ALDH1A1 P00352 3/20 0.38
ATM Q13315 1/20 0.38
RAB9A P51151 3/20 0.37
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
PAX8 Q06710 1/20 0.37
FBP1 P09467 1/20 0.36
CYP1A2 P05177 2/20 0.36
ABCB11 O95342 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
HTR2A P28223 1/20 0.36
PMP22 Q01453 1/20 0.36
TP53 P04637 2/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL8768643 0.83 ALDH1A1 (0.46) PPARAPPARGLMNAALDH1A1ATM
SCHEMBL24177870 0.72 PPARA (0.59) PPARAPPARGHTTFBP1CYP1A2
SCHEMBL8768838 0.67 PPARA (0.48) PPARAPPARGFBP1CYP1A2ABCB11
SCHEMBL8767912 0.67 SOAT1 (0.48) PPARAPPARGFBP1SOAT1
SCHEMBL8768939 0.66 PPARA (0.45) PPARAPPARGLMNAALDH1A1RAB9A
SCHEMBL7981279 0.65 FBP1 (0.54) PPARAPPARGALDH1A1FBP1CYP1A2
SCHEMBL8768856 0.65 SOAT1 (0.52) PPARAPPARGLMNAALDH1A1RAB9A
SCHEMBL7328337 0.65 GPR35 (0.62) LMNAALDH1A1RAB9ANPC1HTT
SCHEMBL8925558 0.64 PPARA (0.40) PPARAPPARGALDH1A1FBP1KDM4E
SCHEMBL8768601 0.64 PPARG (0.70) PPARAPPARGHTTMAPTSOAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0639178-A1 ANTI-ATHEROSCLEROTIC ARYL COMPOUNDS. WELLCOME FOUND (GB) 1995-02-22 EP disclosed
WO-1992010468-A1 ANTI-ATHEROSCLEROTIC ARYL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1992-06-25 WO disclosed