SCHEMBL19670906

SCHEMBL19670906

CC(C)(C)Oc1ccc(CCCCCCCc2ccc(OC(=O)C(C)(C)C)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ELANE P08246 12/20 0.61
PPARA Q07869 3/20 0.49
THRB P10828 2/20 0.47
THRA P10827 1/20 0.47
PPARG P37231 3/20 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
SCHEMBL24732178 0.86 ELANE (0.83) ELANEPPARAPPARG
SCHEMBL24667224 0.85 ELANE (0.70) ELANE
SCHEMBL19774318 0.82 ELANE (0.61) ELANEPPARATHRB
SCHEMBL24177401 0.81 ELANE (0.52) ELANEPPARAPPARG
SCHEMBL16677059 0.80 ELANE (0.63) ELANE
SCHEMBL19557785 0.80 ELANE (0.81) ELANE
SCHEMBL6267369 0.79 PPARA (0.47) PPARATHRBTHRAPPARG
SCHEMBL4888012 0.79 ELANE (0.71) ELANEPPARA
SCHEMBL6267372 0.79 PPARA (0.59) PPARAPPARG
SCHEMBL18098082 0.79 PPARA (0.59) PPARAPPARG

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-9835961-B2 Phthalocyanine crystal, and electrophotographic photoreceptor, electrophotographic photoreceptor cartridge and image-forming device using the same MITSUBISHI CHEMICAL CORPORATION (JP) 2017-12-05 US disclosed