SCHEMBL8964817

SCHEMBL8964817

COc1cc2c(cc1C(C)=O)sc1ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 4/20 0.44
▸ PTPN7 P35236 1/20 0.44
▸ DUSP3 P51452 1/20 0.44
▸ PTPN12 Q05209 1/20 0.44
▸ PTPN22 Q9Y2R2 1/20 0.44
▸ MAPT P10636 4/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ HDAC3 O15379 1/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC10 Q969S8 1/20 0.43
▸ HDAC11 Q96DB2 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ HDAC9 Q9UKV0 1/20 0.43

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
SCHEMBL8964737 0.88 ALDH1A1 (0.54) L3MBTL1PTPN7DUSP3PTPN12PTPN22
SCHEMBL3169791 0.84 GPR3 (0.50) L3MBTL1PTPN7DUSP3PTPN12PTPN22
SCHEMBL8956112 0.74 MAPT (0.52) L3MBTL1MAPTNPC1RAB9ACYP1A2
SCHEMBL18714839 0.73 GABRP (0.41) L3MBTL1PTPN7DUSP3PTPN12PTPN22
Dibenzothiophene SCHEMBL29220086 0.73 GPR3 (0.64) L3MBTL1MAPTNPC1RAB9ACYP1A2
Dibenzothiophene SCHEMBL30901453 0.73 GPR3 (0.64) L3MBTL1MAPTNPC1RAB9ACYP1A2
SCHEMBL9507659 0.72 ALDH1A1 (0.49) L3MBTL1MAPTNPC1RAB9ACYP1A2
SCHEMBL11711215 0.72 ALDH1A1 (0.51) L3MBTL1PTPN7DUSP3PTPN12PTPN22
SCHEMBL21624244 0.72 NPC1 (0.67) L3MBTL1MAPTNPC1RAB9ACYP1A2
SCHEMBL31676772 0.72 NPC1 (0.67) L3MBTL1MAPTNPC1RAB9ACYP1A2

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-5587112-A DETECTION AND MEASUREMENT OF HIGH ENERGY PARTICLES AND ELECTROMAGNETC RADIATION PHILADELPHIA COLLEGE OF PHARMACY AND SCIENCE (US) 1996-12-24 — — US disclosed
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