SCHEMBL19788504

SCHEMBL19788504

CCC(C)(C)Oc1ccc(Cc2ccc(OC(=O)c3ccc(Oc4ccc(C(=O)C(C)(C)C(C)(C)Oc5ccc(C(C)c6ccc(OC(=O)c7ccc(Oc8ccc(C(=O)C(C)(C)C)cc8)cc7)c(C)c6)cc5C)cc4)cc3)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
VDR P11473 3/20 0.33
OPRK1 P41145 1/20 0.31
ELANE P08246 1/20 0.31
L3MBTL1 Q9Y468 1/20 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
SCHEMBL21168188 0.93 ELANE (0.32) VDRELANEL3MBTL1
SCHEMBL12472655 0.88 OPRK1 (0.32) VDROPRK1
SCHEMBL16809836 0.86 OPRK1 (0.33) VDROPRK1L3MBTL1
SCHEMBL13751684 0.83 VDR (0.35) VDRL3MBTL1
SCHEMBL12942435 0.82 MAPT (0.36) VDR
SCHEMBL15499183 0.81 TAS1R3 (0.33) VDRL3MBTL1
SCHEMBL13660286 0.81 VDR (0.32) VDR
SCHEMBL14274556 0.81 VDR (0.33) VDROPRK1ELANEL3MBTL1
SCHEMBL12678034 0.81 ALDH1A1 (0.35) OPRK1L3MBTL1
SCHEMBL18831745 0.80 ALDH1A1 (0.35) ELANE

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-9874824-B2 Electrophotographic photoreceptor and image formation device MITSUBISHI CHEMICAL CORPORATION (JP) 2018-01-23 US disclosed