SCHEMBL11550325

SCHEMBL11550325

CCOC(C)(C)CCCC(C)CCOc1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.44
CYP1A1 P04798 2/20 0.40
CYP1B1 Q16678 2/20 0.40
MAOB P27338 2/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
NOS1 P29475 3/20 0.36
FFAR1 O14842 2/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.35
LTA4H P09960 1/20 0.35
SIGMAR1 Q99720 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
SCHEMBL11553386 0.90 HRH3 (0.40)
SCHEMBL11547888 0.88 POLB (0.41) LTA4H
SCHEMBL11555226 0.86 L3MBTL1 (0.50) PPARAMAOBPPARG
SCHEMBL11553217 0.85 LMNA (0.40) PPARAPPARGPPARD
SCHEMBL11546267 0.85 MEN1 (0.41) PPARAMAOBPPARGPPARD
SCHEMBL11548607 0.82 MAPT (0.38) PPARAMAOBPPARG
SCHEMBL11552460 0.82 MEN1 (0.52)
SCHEMBL11714406 0.82 FDPS (0.35) PPARAPPARG
SCHEMBL11549746 0.82 ALDH1A1 (0.41)
SCHEMBL11552464 0.81 S1PR1 (0.43)

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-4137273-A INSECTICIDES, CHEMICAL INTERMEDIATES ZOECON CORPORATION (US) 1979-01-30 US disclosed