SCHEMBL12412338

SCHEMBL12412338

CCC(C)(CC)Oc1ccc(C2(c3ccc(OC(=O)c4ccc(C(=O)C(C)C)cc4)cc3)CCCCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.57
▸ SLC6A4 P31645 6/20 0.39
▸ SLC6A3 Q01959 6/20 0.39
▸ SLC6A2 P23975 4/20 0.39
▸ RARA P10276 2/20 0.35
▸ RARB P10826 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ KMT2A Q03164 3/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ PRSS1 P07477 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
SCHEMBL2760061 0.88 ADORA3 (0.60) ADORA3SLC6A4SLC6A3SLC6A2TDP1
SCHEMBL12352775 0.87 ADORA3 (0.57) ADORA3SLC6A4SLC6A3SLC6A2RARA
SCHEMBL14040202 0.80 ADORA3 (0.58) ADORA3SLC6A4SLC6A3SLC6A2L3MBTL1
SCHEMBL14160487 0.80 ADORA3 (0.60) ADORA3SLC6A4SLC6A3SLC6A2L3MBTL1
SCHEMBL14643611 0.80 ADORA3 (0.60) ADORA3SLC6A4SLC6A3SLC6A2L3MBTL1
SCHEMBL10046812 0.79 ADORA3 (0.60) ADORA3SLC6A4SLC6A3SLC6A2TDP1
SCHEMBL12473086 0.79 ADORA3 (0.57) ADORA3SLC6A4SLC6A3SLC6A2RARA
SCHEMBL13660290 0.78 ADORA3 (0.50) ADORA3SLC6A4SLC6A3SLC6A2RARA
SCHEMBL12199955 0.78 ADORA3 (0.53) ADORA3SLC6A4SLC6A3SLC6A2TDP1
SCHEMBL12352822 0.77 ADORA3 (0.55) ADORA3SLC6A4SLC6A3SLC6A2RARA

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-20110206411-A1 IMAGE FORMING APPARATUS AND ELECTROPHOTOGRAPHIC CARTRIDGE MITSUBISHI CHEMICAL CORPORATION (JP) 2011-08-25 — — US disclosed
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