SCHEMBL13660290

SCHEMBL13660290

CCC(C)(C)C(=O)c1ccc(C(=O)Oc2ccc(C3(c4ccc(OC(C)C)cc4)CCCCC3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.50
▸ SLC6A2 P23975 2/20 0.39
▸ SLC6A4 P31645 2/20 0.39
▸ SLC6A3 Q01959 2/20 0.39
▸ MAPT P10636 6/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ TP53 P04637 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ HPGD P15428 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PARP10 Q53GL7 1/20 0.36
▸ PPARA Q07869 1/20 0.35
▸ NR1H4 Q96RI1 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ATM Q13315 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
SCHEMBL14274575 0.91 ADORA3 (0.42) ADORA3SLC6A2SLC6A4SLC6A3MAPT
SCHEMBL12473086 0.86 ADORA3 (0.57) ADORA3SLC6A2SLC6A4SLC6A3MAPT
SCHEMBL12134134 0.85 ADORA3 (0.53) ADORA3SLC6A2SLC6A4SLC6A3MAPT
SCHEMBL13660272 0.84 ADORA3 (0.46) ADORA3SLC6A2SLC6A4SLC6A3
SCHEMBL21318616 0.84 ADORA3 (0.54) ADORA3SLC6A2SLC6A4SLC6A3MAPT
SCHEMBL12472031 0.84 ADORA3 (0.54) ADORA3SLC6A2SLC6A4SLC6A3MAPT
SCHEMBL12473245 0.81 PPARA (0.40) ADORA3SLC6A2SLC6A4SLC6A3MAPT
SCHEMBL12352775 0.80 ADORA3 (0.57) ADORA3SLC6A2SLC6A4SLC6A3MAPT
SCHEMBL25797231 0.79 KMT2A (0.56) MAPTALDH1A1TP53THRBHTT
SCHEMBL10068243 0.78 ADORA3 (0.51) ADORA3SLC6A2SLC6A4SLC6A3MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7604913-B2 Electrophotographic photosensitive body MITSUBISHI CHEMICAL CORPORATION (JP) 2009-10-20 — — US disclosed
US-20080063963-A1 Electrophotographic Photosensitive Body MITSUBISHI CHEMICAL CORPORATION (JP) 2008-03-13 — — US disclosed
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