SCHEMBL14701784

SCHEMBL14701784

CCC(C)(C)Oc1ccc(C(c2ccc(OC(=O)C(C)(C)CC)cc2)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ELANE P08246 8/20 0.42
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
EPHX2 P34913 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
PPARA Q07869 2/20 0.33
ABCB11 O95342 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
HTR2A P28223 1/20 0.33
PMP22 Q01453 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
BCHE P06276 2/20 0.33
PPARD Q03181 1/20 0.33
CHRM2 P08172 1/20 0.33
KIF11 P52732 1/20 0.33

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
SCHEMBL15241694 0.90 ELANE (0.37) ELANEESR1ESR2EPHX2NR1H4
SCHEMBL12021518 0.87 ELANE (0.51) ELANEPPARAABCB11CYP1A2CYP3A4
SCHEMBL807094 0.86 ELANE (0.46) ELANEPPARAABCB11CYP1A2CYP3A4
SCHEMBL12907932 0.85 ELANE (0.44) ELANEPPARAABCB11CYP1A2CYP3A4
SCHEMBL13199355 0.84 ELANE (0.33) ELANEESR1ESR2EPHX2NR1H4
SCHEMBL16504154 0.83 ELANE (0.32) ELANEPPARAPPARD
SCHEMBL12085813 0.83 ELANE (0.48) ELANEPPARAABCB11CYP1A2CYP3A4
SCHEMBL21030113 0.83 ELANE (0.54) ELANEPPARAABCB11CYP1A2CYP3A4
SCHEMBL13631983 0.83 ELANE (0.43) ELANEESR1ESR2EPHX2NR1H4
SCHEMBL18056712 0.82 MAPT (0.43) ELANEESR1BCHECHRM2

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