SCHEMBL14280383

SCHEMBL14280383

CCC(=O)Oc1ccc(-c2ccc(OC(=O)Oc3ccc(C4(c5ccc(OC)cc5)CCCCC4)cc3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.45
▸ KMT2A Q03164 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ ESR1 P03372 2/20 0.40
▸ HIF1A Q16665 2/20 0.40
▸ RECQL P46063 1/20 0.40
▸ BACE1 P56817 2/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ ELANE P08246 1/20 0.38
▸ CTSK P43235 2/20 0.38
▸ LMNA P02545 2/20 0.37
▸ GRIN1 Q05586 1/20 0.37
▸ GRIN2A Q12879 1/20 0.37
▸ GRIN2B Q13224 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL14108149 0.92 ADORA3 (0.51) ADORA3KMT2ASMN1; SMN2ESR1HIF1A
SCHEMBL12404386 0.86 KMT2A (0.48) ADORA3KMT2AESR1BACE1NPC1
SCHEMBL12919554 0.86 KMT2A (0.48) ADORA3KMT2AESR1BACE1NPC1
SCHEMBL13144068 0.85 MAPT (0.49) ADORA3KMT2ABACE1NPC1RAB9A
SCHEMBL16158986 0.84 ADORA3 (0.41) ADORA3KMT2AESR1BACE1LMNA
SCHEMBL23968910 0.82 ESR2 (0.57) ADORA3KMT2AESR1BACE1GRIN1
SCHEMBL14877709 0.82 KDM4E (0.47) ADORA3KMT2ASMN1; SMN2ESR1BACE1
SCHEMBL16488963 0.82 KMT2A (0.51) ADORA3KMT2AESR1BACE1NPC1
SCHEMBL12221853 0.82 FAAH (0.48) ADORA3KMT2ASMN1; SMN2BACE1NPC1
SCHEMBL19194913 0.82 KMT2A (0.51) ADORA3KMT2AESR1BACE1NPC1

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-20080008952-A1 Organophotoreceptor and electrophotographic imaging apparatus including the organophotoreceptor SAMSUNG ELECTRONICS CO., LTD. 2008-01-10 — — US disclosed
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