SCHEMBL9702483

SCHEMBL9702483

Cc1cc(OCCCC(C)(C)C(=O)O)cc(C)c1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 12/20 0.56
TTR P02766 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C8 P10632 1/20 0.51
CHRM1 P11229 1/20 0.51
CYP2C9 P11712 1/20 0.51
TSHR P16473 1/20 0.51
ADRA1A P35348 1/20 0.51
PPARG P37231 1/20 0.51
HTR2B P41595 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
SLCO1B3 Q9NPD5 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
CISD1 Q9NZ45 1/20 0.51
SLCO1B1 Q9Y6L6 1/20 0.51
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LTB4R Q15722 1/20 0.42

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
SCHEMBL9702017 0.85 PPARA (0.55) PPARATTRCYP1A2CYP2C8CHRM1
SCHEMBL10457425 0.84 PPARA (0.74) PPARACYP1A2PPARGMEN1KMT2A
SCHEMBL9702925 0.82 PPARA (0.64) PPARATTRCYP1A2CYP2C8CHRM1
SCHEMBL28138301 0.79 PPARA (0.57) PPARATTRCYP1A2CYP2C8CHRM1
SCHEMBL10641392 0.78 PPARA (0.88) PPARATTRCYP1A2CYP2C8CHRM1
SCHEMBL1143540 0.78 MAOB (0.53) CYP1A2SMN1; SMN2TDP1MEN1KMT2A
SCHEMBL11088495 0.75 PPARA (0.72) PPARATTRCYP1A2CYP2C8CHRM1
SCHEMBL11094581 0.75 PPARA (0.64) PPARATTRCYP1A2CYP2C8CHRM1
SCHEMBL11097170 0.74 PPARA (0.81) PPARATTRCYP1A2CYP2C8CHRM1
SCHEMBL25353057 0.74 PTGER4 (0.54) PPARAMEN1KMT2ALTB4R

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-5166398-A Anticholesterol agents or atherosclerosis WARNER-LAMBERT CO. (US) 1992-11-24 US disclosed