SCHEMBL7502255

SCHEMBL7502255

CCCCCCCCCCCCc1cc(CBr)on1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.60
KCNH2 Q12809 1/20 0.42
PTGS2 P35354 2/20 0.34
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
ELANE P08246 2/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL8605589 0.98 PPARA (0.57) PPARAKCNH2PTGS2NPC1RAB9A
SCHEMBL25801691 0.86 PPARA (0.60) PPARAKCNH2PTGS2CHRM2CHRM4
SCHEMBL369102 0.85 PPARA (0.71) PPARAKCNH2PTGS2NPC1RAB9A
SCHEMBL7686496 0.83 PPARA (0.64) PPARAKCNH2PTGS2NPC1RAB9A
SCHEMBL7505230 0.83 PPARA (0.64) PPARAKCNH2PTGS2NPC1RAB9A
SCHEMBL8605187 0.81 PPARA (0.57) PPARAKCNH2NPC1RAB9ASMN1; SMN2
SCHEMBL2094373 0.80 PPARA (0.57) PPARAKCNH2PTGS2
SCHEMBL3812770 0.80 PPARA (0.65) PPARAKCNH2PTGS2NPC1RAB9A
SCHEMBL2094371 0.79 PPARA (0.56) PPARAKCNH2PTGS2
SCHEMBL7504627 0.78 PPARA (0.54) PPARAKCNH2PTGS2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0684945-B1 PYRAZOLE- OR ISOXAZOLE-SUBSTITUTED ALKYL AMIDE ACAT INHIBITORS WARNER LAMBERT CO (US) 2002-07-24 EP disclosed
EP-1203767-A1 Heterocyclic-substituted alkylamide acat inhibitors WARNER-LAMBERT COMPANY (US) 2002-05-08 EP disclosed
US-5693657-A USEFUL FOR TREATING HYPERCHOLESTEROLEMIA OR ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1997-12-02 US disclosed
US-5646170-A ACYLCOENZYME A:CHOLESTEROL ACYLTRANSFERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1997-07-08 US disclosed
EP-0684945-A1 HETEROCYCLIC-SUBSTITUTED ALKYL AMIDE ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 1995-12-06 EP disclosed
US-5441975-A Anticholesterol agent WARNER-LAMBERT COMPANY (US) 1995-08-15 US disclosed
US-5366987-A Enzyme inhibitors, anticholesterol WARNER-LAMBERT COMPANY (US) 1994-11-22 US disclosed
WO-1994019330-A1 HETEROCYCLIC-SUBSTITUTED ALKYL AMIDE ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 1994-09-01 WO disclosed