SCHEMBL12841530

SCHEMBL12841530

CCCC(C)(C)Oc1ccc(C2(c3ccc(Oc4ccc(-c5ccc(C(C)(C)CC)cc5)cc4)cc3)CCCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.47
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HRH3 Q9Y5N1 13/20 0.36
▸ MAOB P27338 9/20 0.36
▸ POLB P06746 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ PTPN1 P18031 1/20 0.34
▸ BACE1 P56817 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33

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
SCHEMBL14706808 0.78 NPC1 (0.51) NPC1RAB9AMAPTHRH3MAOB
SCHEMBL20671319 0.76 ADORA3 (0.65) ADORA3MAPTBACE1SLC6A2SLC6A4
SCHEMBL19431650 0.76 ADORA3 (0.65) ADORA3MAPTBACE1SLC6A2SLC6A4
SCHEMBL19431838 0.76 ADORA3 (0.55) ADORA3MAPTBACE1SLC6A2SLC6A4
SCHEMBL19200571 0.76 SLC6A4 (0.47) ADORA3NPC1RAB9AMAPTHRH3
SCHEMBL15084063 0.74 ADORA3 (0.57) ADORA3NPC1RAB9AMAPTPOLB
SCHEMBL10030680 0.74 ADORA3 (0.57) ADORA3BACE1SLC6A2SLC6A4SLC6A3
SCHEMBL14462629 0.73 ADORA3 (0.56) ADORA3NPC1RAB9AMAPTBACE1
SCHEMBL13328173 0.73 ADORA3 (0.55) ADORA3BACE1SLC6A2SLC6A4SLC6A3
SCHEMBL12040668 0.72 ADORA3 (0.54) ADORA3BACE1SLC6A2SLC6A4SLC6A3

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-7910686-B2 Block copolymer and application thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-03-22 — — US disclosed
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