SCHEMBL11261827

SCHEMBL11261827

COC(=O)C(C)(C)CCCOc1ccc(OCCCC(C)(C)C(=O)OC)c([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.48
HPGD P15428 2/20 0.47
KDM4E B2RXH2 2/20 0.46
HTT P42858 1/20 0.45
MAPT P10636 3/20 0.45
PLA2G4B P0C869 1/20 0.44
RAB9A P51151 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.44
PRSS1 P07477 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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 0.81 PPARA (0.52) ALDH1A1KDM4EHTTMAPTSMN1; SMN2
SCHEMBL11094347 0.81 PPARA (0.48) KDM4ERAB9ASMN1; SMN2
SCHEMBL11095134 0.80 PPARG (0.44) SMN1; SMN2
SCHEMBL11089623 0.80 PPARA (0.45) ALDH1A1HPGDKDM4EMAPTRAB9A
SCHEMBL11092025 0.80 KDM4E (0.45) ALDH1A1KDM4EHTTKMT2ASMN1; SMN2
SCHEMBL11092116 0.79 KDM4E (0.46) ALDH1A1KDM4EMAPTRAB9AKMT2A
SCHEMBL11095117 0.79 LMNA (0.44) MAPT
SCHEMBL11130558 0.77 PPARA (0.45) ALDH1A1HPGDKDM4EHTTMAPT
SCHEMBL11098273 0.77 PPARA (0.40) ALDH1A1SMN1; SMN2
SCHEMBL11253558 0.76 HDAC8 (0.45) ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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