SCHEMBL19631066

SCHEMBL19631066

CCC(C)(CC)Oc1ccc(C(C)(C)c2ccc(OC(=O)C(CC)(CC)C(CC)(CC)Oc3ccc(C(C)(C)c4ccc(OC(=O)C(C)(C)CC)cc4)cc3)c(C)c2)cc1C

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
VDR P11473 1/20 0.33
ELANE P08246 2/20 0.32

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
SCHEMBL19670856 0.92 VDR (0.33) VDR
SCHEMBL14701777 0.87 VDR (0.41) VDR
SCHEMBL14727637 0.86 BCHE (0.31) VDR
SCHEMBL12907945 0.85 VDR (0.42) VDR
SCHEMBL14040314 0.79 KDM4E (0.32) VDRELANE
SCHEMBL14192866 0.79 ELANE (0.46) ELANE
SCHEMBL13179880 0.78 VDR (0.33) VDRELANE
SCHEMBL18373081 0.77 RARB (0.33) ELANE
SCHEMBL14754930 0.77 VDR (0.42) VDR
SCHEMBL12040652 0.77 VDR (0.42) VDR

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-20170336724-A1 PHTHALOCYANINE CRYSTAL, AND ELECTROPHOTOGRAPHIC PHOTORECEPTOR, ELECTROPHOTOGRAPHIC PHOTORECEPTOR CARTRIDGE AND IMAGE-FORMING DEVICE USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2017-11-23 US disclosed