SCHEMBL11705100

SCHEMBL11705100

CCCCCCCCCCCCCCCCCCc1ccc(OC(=O)c2cc(CCCCCCCCCCCCCCC)c(O)c(CCCCCCCCCCCCCCC)c2)c(CCCCCCCCCCCCCCCCCC)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.46
PPARG P37231 1/20 0.46
KAT8 Q9H7Z6 2/20 0.46
PRSS1 P07477 1/20 0.44
ACR P10323 1/20 0.44
ALOX5 P09917 3/20 0.44
PTGS2 P35354 3/20 0.44
APAF1 O14727 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL874719 0.95 AKT1 (0.43) PPARAPPARGKAT8PRSS1ACR
SCHEMBL11668709 0.88 PPARG (0.49) PPARAPPARGKAT8PRSS1ACR
SCHEMBL11668856 0.88 MAPT (0.48) PPARAPPARGAPAF1MAPTTHRB
SCHEMBL11669011 0.84 AKT1 (0.47) PPARAPPARGAPAF1MAPTTHRB
SCHEMBL11668712 0.84 RARB (0.57) PPARAPPARGKAT8APAF1MAPT
SCHEMBL11668860 0.83 RARB (0.57) PPARAPPARGKAT8APAF1MAPT
SCHEMBL4957329 0.81 LMNA (0.43) ALOX5PTGS2APAF1MAPTTHRB
SCHEMBL1022843 0.81 PPARA (0.50) PPARAPPARGKAT8APAF1MAPT
SCHEMBL21261989 0.80 THRB (0.49) PRSS1ACRMAPTTHRB
SCHEMBL9663130 0.80 HTT (0.49) PPARAPPARGKAT8APAF1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4035323-A ULTRAVIOLET PROTECTION, PIPERIDINE AND HYDROXY-SUBSTITUTED PHENYL BENZOATE ADDITIVES PHILLIPS PETROLEUM COMPANY (US) 1977-07-12 US disclosed
US-4025488-A NICKEL AMINE COMPLEX AND HYDROXYL SUBSTITUTED PHENYL BENZOATE PHILLIPS PETROLEUM COMPANY (US) 1977-05-24 US disclosed
US-3959218-A POLYPROPYLENE, HYDROXYLATED PHENYLBENZOATES, NICKEL KETOXIMES, HINDERED PHENOLS PHILLIPS PETROLEUM COMPANY (US) 1976-05-25 US disclosed