SCHEMBL11089623

SCHEMBL11089623

COC(=O)C(C)(C)CCCOc1ccc(OCCCC(C)(C)C(=O)OC)c(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.45
KDM4E B2RXH2 3/20 0.43
USP2 O75604 1/20 0.43
TDP1 Q9NUW8 3/20 0.42
SMN1; SMN2 Q16637 5/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
TTR P02766 1/20 0.41
CYP2C8 P10632 1/20 0.41
CHRM1 P11229 1/20 0.41
TSHR P16473 1/20 0.41
ADRA1A P35348 1/20 0.41
PPARG P37231 1/20 0.41
HTR2B P41595 1/20 0.41
SLCO1B3 Q9NPD5 1/20 0.41
CISD1 Q9NZ45 1/20 0.41
SLCO1B1 Q9Y6L6 1/20 0.41
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 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
SCHEMBL11089771 0.88 PPARA (0.52) PPARAKDM4ETDP1SMN1; SMN2CYP1A2
SCHEMBL11092203 0.86 PPARA (0.58) PPARATDP1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL11094347 0.85 PPARA (0.48) PPARAKDM4ETDP1SMN1; SMN2CYP1A2
SCHEMBL11092025 0.84 KDM4E (0.45) PPARAKDM4ETDP1SMN1; SMN2CYP1A2
SCHEMBL11095134 0.84 PPARG (0.44) PPARATDP1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL11095117 0.83 LMNA (0.44) PPARAMAPTL3MBTL1LMNA
SCHEMBL11092116 0.83 KDM4E (0.46) PPARAKDM4ETDP1SMN1; SMN2CYP1A2
SCHEMBL11098273 0.81 PPARA (0.40) PPARATDP1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL11130558 0.81 PPARA (0.45) PPARAKDM4ETDP1SMN1; SMN2CYP1A2
SCHEMBL11261827 0.80 ALDH1A1 (0.48) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A

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 4 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