SCHEMBL11615686

SCHEMBL11615686

CC(C)/C(=N\OCc1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.49
PPARA Q07869 3/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
CCR8 P51685 1/20 0.41
KCNH2 Q12809 1/20 0.41
CETP P11597 1/20 0.41
ALDH1A1 P00352 1/20 0.40
DAGLA Q9Y4D2 1/20 0.40
MME P08473 1/20 0.40
ACE P12821 1/20 0.40
CPA1 P15085 1/20 0.40
ACE2 Q9BYF1 1/20 0.40
PTGES O14684 1/20 0.40
MMP1 P03956 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38

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
SCHEMBL11615687 1.00 PPARG (0.49) PPARGPPARANPC1RAB9ACCR8
SCHEMBL7832912 0.89 PPARG (0.46) PPARGPPARANPC1RAB9ACCR8
SCHEMBL29626835 0.89 PPARG (0.46) PPARGPPARANPC1RAB9ACCR8
SCHEMBL11573521 0.82 NPC1 (0.50) PPARGPPARANPC1RAB9ACCR8
SCHEMBL11573519 0.82 NPC1 (0.50) PPARGPPARANPC1RAB9ACCR8
SCHEMBL27369629 0.77 L3MBTL1 (0.47) PPARGPPARANPC1RAB9AALDH1A1
SCHEMBL11056588 0.72 CD274 (0.46)
SCHEMBL11056547 0.72 CD274 (0.46)
SCHEMBL11451678 0.71 FFAR1 (0.46) CETPALDH1A1MAPTL3MBTL1FFAR4
SCHEMBL9558288 0.71 PPARG (0.46) PPARGPPARACCR8KCNH2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4108897-A Benzylhydroxylamine ethers SHELL OIL COMPANY (US) 1978-08-22 US disclosed