SCHEMBL19414632

SCHEMBL19414632

CCC(C)(C)OC(=O)c1ccc(Oc2ccc(C(=O)Oc3ccc(C4(c5ccc(C(C)(C)CC)cc5)CCCCC4)cc3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.48
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.39
▸ MAPT P10636 3/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ SLC6A2 P23975 2/20 0.36
▸ SLC6A4 P31645 2/20 0.36
▸ SLC6A3 Q01959 2/20 0.36
▸ HRH3 Q9Y5N1 10/20 0.35
▸ PRSS1 P07477 1/20 0.35
▸ ACR P10323 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL18827752 0.93 ADORA3 (0.49) ADORA3NPC1RAB9APOLBCYP2C9
SCHEMBL13867905 0.90 ADORA3 (0.52) ADORA3NPC1RAB9APOLBCYP2C9
SCHEMBL16983807 0.85 NPC1 (0.39) ADORA3NPC1RAB9APOLBCYP2C9
SCHEMBL16984006 0.85 ADORA3 (0.36) ADORA3NPC1RAB9APOLBCYP2C9
SCHEMBL16984011 0.82 ADORA3 (0.38) ADORA3NPC1RAB9APOLBCYP2C9
SCHEMBL16984010 0.81 ADORA3 (0.43) ADORA3TDP1MAPTL3MBTL1HRH3
SCHEMBL12352822 0.81 ADORA3 (0.55) ADORA3NPC1CYP2C9TDP1MAPT
SCHEMBL12472031 0.80 ADORA3 (0.54) ADORA3TDP1MAPTL3MBTL1SLC6A2
SCHEMBL15095778 0.79 ADORA3 (0.56) ADORA3NPC1RAB9APOLBCYP2C9
SCHEMBL19414437 0.79 ESR1 (0.41) ADORA3NPC1RAB9APOLBCYP2C9

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-9778581-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2017-10-03 — — US disclosed
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