SCHEMBL16158986

SCHEMBL16158986

COc1ccc(C2(c3ccc(OC(=O)Oc4ccc(-c5ccc(OC(=O)SC)cc5)cc4)cc3)CCCCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.41
▸ MAPT P10636 4/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ HPGD P15428 3/20 0.39
▸ BACE1 P56817 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ FAAH O00519 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ SLC6A4 P31645 2/20 0.38
▸ SLC6A3 Q01959 2/20 0.38
▸ GRIN1 Q05586 1/20 0.38
▸ GRIN2A Q12879 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL16158988 0.88 ADORA3 (0.43) ADORA3MAPTKDM4EHPGDBACE1
SCHEMBL12404386 0.87 KMT2A (0.48) ADORA3MAPTKDM4EHPGDBACE1
SCHEMBL12919554 0.87 KMT2A (0.48) ADORA3MAPTKDM4EHPGDBACE1
SCHEMBL13144068 0.86 MAPT (0.49) ADORA3MAPTKDM4EHPGDBACE1
SCHEMBL14280383 0.84 ADORA3 (0.45) ADORA3MAPTBACE1KMT2ASLC6A4
SCHEMBL23968910 0.83 ESR2 (0.57) ADORA3MAPTKDM4EHPGDBACE1
SCHEMBL16488963 0.83 KMT2A (0.51) ADORA3MAPTKDM4EHPGDBACE1
SCHEMBL12221853 0.83 FAAH (0.48) ADORA3MAPTKDM4EBACE1KMT2A
SCHEMBL14877709 0.83 KDM4E (0.47) ADORA3MAPTKDM4EHPGDBACE1
SCHEMBL19194913 0.83 KMT2A (0.51) ADORA3MAPTKDM4EHPGDBACE1

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-9146457-B2 Electro-photographic photoreceptor and image forming apparatus including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2015-09-29 — — US disclosed
US-20140302431-A1 ELECTRO-PHOTOGRAPHIC PHOTORECEPTOR AND IMAGE FORMING APPARATUS INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2014-10-09 — — US disclosed
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