SCHEMBL11097336

SCHEMBL11097336

CC(=O)c1cc(OCCCC(C)(C)C(=O)O)ccc1OCCCC(C)(C)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 13/20 0.57
TTR P02766 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C8 P10632 1/20 0.54
CHRM1 P11229 1/20 0.54
CYP2C9 P11712 1/20 0.54
TSHR P16473 1/20 0.54
ADRA1A P35348 1/20 0.54
PPARG P37231 1/20 0.54
HTR2B P41595 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
SLCO1B3 Q9NPD5 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
CISD1 Q9NZ45 1/20 0.54
SLCO1B1 Q9Y6L6 1/20 0.54
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL11095117 0.87 LMNA (0.44) PPARALMNAMAPTL3MBTL1
SCHEMBL11091435 0.85 PPARA (0.70) PPARATTRCYP1A2CYP2C8CHRM1
SCHEMBL11094581 0.83 PPARA (0.64) PPARATTRCYP1A2CYP2C8CHRM1
SCHEMBL11093162 0.82 PPARA (0.59) PPARATTRCYP1A2CYP2C8CHRM1
SCHEMBL11092203 0.82 PPARA (0.58) PPARATTRCYP1A2CYP2C8CHRM1
SCHEMBL11090427 0.82 PPARA (0.58) PPARATTRCYP1A2CYP2C8CHRM1
SCHEMBL11092123 0.82 PPARA (0.66) PPARATTRCYP1A2CYP2C8CHRM1
SCHEMBL11095192 0.81 PPARA (0.57) PPARATTRCYP1A2CYP2C8CHRM1
SCHEMBL6558451 0.81 LMNA (0.57) TSHRLMNAMAPTL3MBTL1
SCHEMBL11132919 0.81 PPARA (0.48) PPARATTRCYP1A2CYP2C8CHRM1

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
EP-0032063-B1 NOVEL SUBSTITUTED ARYLENE COMPOUNDS AND PROCESSES FOR THEIR PRODUCTION WARNER-LAMBERT COMPANY (US) 1984-03-14 EP claimed