SCHEMBL11095692

SCHEMBL11095692

CC(C)(CCCOc1ccc(SCCCC(C)(C)C(=O)O)cc1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 13/20 0.65
PPARG P37231 2/20 0.48
TTR P02766 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C8 P10632 1/20 0.48
CHRM1 P11229 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
ADRA1A P35348 1/20 0.48
HTR2B P41595 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SLCO1B3 Q9NPD5 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CISD1 Q9NZ45 1/20 0.48
SLCO1B1 Q9Y6L6 1/20 0.48
CYP4F2 P78329 5/20 0.45
CYP4A11 Q02928 5/20 0.45
PPARD Q03181 1/20 0.42
PLA2G2A P14555 1/20 0.41
DRD2 P14416 1/20 0.41

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
SCHEMBL11097170 0.87 PPARA (0.81) PPARAPPARGTTRCYP1A2CYP2C8
SCHEMBL11385551 0.84 HDAC1 (0.46) PPARAPPARGTTRCYP1A2CYP2C8
SCHEMBL28710418 0.83 PPARA (0.84) PPARAPPARGTTRCYP1A2CYP2C8
SCHEMBL11094600 0.83 PPARA (0.74) PPARAPPARGTTRCYP1A2CYP2C8
SCHEMBL11093079 0.82 PPARA (0.73) PPARAPPARGTTRCYP1A2CYP2C8
SCHEMBL8617696 0.82 PPARA (0.54) PPARAPPARGTTRCYP1A2CYP2C8
SCHEMBL10685541 0.81 PPARA (0.83) PPARAPPARGTTRCYP1A2CYP2C8
SCHEMBL10641392 0.81 PPARA (0.88) PPARAPPARGTTRCYP1A2CYP2C8
SCHEMBL10683274 0.80 PPARA (0.70) PPARAPPARGTTRCYP1A2CYP2C8
SCHEMBL5727305 0.80 PPARA (0.70) PPARAPPARGTTRCYP1A2CYP2C8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0032063-B1 NOVEL SUBSTITUTED ARYLENE COMPOUNDS AND PROCESSES FOR THEIR PRODUCTION WARNER-LAMBERT COMPANY (US) 1984-03-14 EP claimed
US-4351950-A Anti-arteriosclerotic agents WARNER-LAMBERT COMPANY (US) 1982-09-28 US claimed
EP-0032063-A2 Novel substituted arylene compounds and processes for their production WARNER-LAMBERT COMPANY (US) 1981-07-15 EP claimed
EP-0032063-B1 NOVEL SUBSTITUTED ARYLENE COMPOUNDS AND PROCESSES FOR THEIR PRODUCTION WARNER-LAMBERT COMPANY (US) 1984-03-14 EP disclosed
US-4351950-A Anti-arteriosclerotic agents WARNER-LAMBERT COMPANY (US) 1982-09-28 US disclosed
EP-0032063-A2 Novel substituted arylene compounds and processes for their production WARNER-LAMBERT COMPANY (US) 1981-07-15 EP disclosed