SCHEMBL14701719

SCHEMBL14701719

CCC(C)(C)Oc1c(C)cc(Cc2cc(C)c(OC(=O)C(C)(C)CC)c(C)c2)cc1C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.35
PPARD Q03181 5/20 0.33
PPARG P37231 4/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
OPRK1 P41145 1/20 0.33
HMGB1 P09429 1/20 0.33
CXCL12 P48061 1/20 0.33
ELANE P08246 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
CNR1 P21554 2/20 0.30
CNR2 P34972 2/20 0.30

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
SCHEMBL19827499 0.89 BRD4 (0.31) PPARAPPARGELANE
SCHEMBL14701793 0.87 VDR (0.31) ELANE
SCHEMBL17068814 0.79 KDM4E (0.38) CYP1A2CYP2C9ELANESMN1; SMN2CNR2
SCHEMBL25968669 0.76 RIPK1 (0.33) ELANE
SCHEMBL14015405 0.74 ELANE (0.35) PPARACYP1A2CYP2C9ELANESMN1; SMN2
SCHEMBL14701717 0.72 L3MBTL1 (0.37) PPARAPPARDPPARGOPRK1ELANE
SCHEMBL18567239 0.72 HTT (0.40) PPARAPPARDPPARGCYP1A2CYP2C9
SCHEMBL25596263 0.71 HSD11B1 (0.34)
SCHEMBL26078923 0.71 LMNA (0.39) SMN1; SMN2
SCHEMBL14701715 0.71 ELANE (0.59) PPARAPPARGCYP1A2OPRK1ELANE

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-20130040234-A1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR, MANUFACTURING METHOD THEREFOR AND ELECTROPHOTOGRAPHIC DEVICE FUJI ELECTRIC CO., LTD. (JP) 2013-02-14 US disclosed