SCHEMBL15095778

SCHEMBL15095778

CCC(C)(C)c1ccc(C2(c3ccc(OC(C)=O)cc3)CCCCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.56
▸ HRH3 Q9Y5N1 14/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ CYP2C9 P11712 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ MAOB P27338 5/20 0.40

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
SCHEMBL14357620 0.85 ADORA3 (0.46) ADORA3KMT2ANPC1POLBRAB9A
SCHEMBL10907042 0.85 ADORA3 (0.52) ADORA3KMT2ANPC1POLBRAB9A
SCHEMBL19431649 0.85 ADORA3 (0.63) ADORA3KMT2ANPC1POLBRAB9A
SCHEMBL1787793 0.83 TDP1 (0.52) HRH3KMT2ANPC1POLBRAB9A
SCHEMBL14357625 0.83 ADORA3 (0.48) ADORA3KMT2ANPC1POLBRAB9A
SCHEMBL13867905 0.83 ADORA3 (0.52) ADORA3HRH3NPC1POLBRAB9A
SCHEMBL17059535 0.82 ADORA3 (0.48) ADORA3HRH3KMT2APOLBTDP1
SCHEMBL12755550 0.80 ADORA3 (0.47) ADORA3HRH3KMT2APOLBTDP1
SCHEMBL15084063 0.80 ADORA3 (0.57) ADORA3KMT2ANPC1POLBRAB9A
SCHEMBL19414632 0.79 ADORA3 (0.48) ADORA3HRH3KMT2ANPC1POLB

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-8481238-B2 Electrophotographic photoreceptors, electrophotographic photoreceptor cartridge, and image-forming apparatus MITSUBISHI CHEMICAL CORPORATION (JP) 2013-07-09 — — US disclosed
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