SCHEMBL6803588

SCHEMBL6803588

CC(C)(CCc1ccccc1)C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 2/20 0.50
▸ HDAC4 P56524 2/20 0.50
▸ HDAC1 Q13547 2/20 0.50
▸ HDAC7 Q8WUI4 2/20 0.50
▸ HDAC2 Q92769 2/20 0.50
▸ HDAC10 Q969S8 2/20 0.50
▸ HDAC11 Q96DB2 2/20 0.50
▸ HDAC8 Q9BY41 2/20 0.50
▸ HDAC6 Q9UBN7 2/20 0.50
▸ HDAC9 Q9UKV0 2/20 0.50
▸ HDAC5 Q9UQL6 2/20 0.50
▸ KMT2A Q03164 3/20 0.48
▸ MAPT P10636 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ KEAP1 Q14145 1/20 0.47
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ GRM2 Q14416 1/20 0.45

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
SCHEMBL28208793 0.89 LMNA (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22984079 0.88 KMT2A (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL27478411 0.87 LTB4R (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL30080837 0.86 CYP1A2 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL173883 0.86 CYP1A2 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5320849 0.85 MAPT (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9190217 0.85 GRM2 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL27957913 0.85 AR (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28246708 0.84 LTB4R (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8287226 0.84 ALDH1A1 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240240025-A1 Blue-Excitable Water-Solvated Polymeric Dyes BECTON, DICKINSON AND COMPANY 2024-07-18 — — US disclosed
CN-106232585-B Triaizine compounds and its medicinal usage 日本烟草产业株式会社 2019-04-02 — — CN disclosed
CN-109280074-A Dan Nuoruiwei sodium crystal and preparation method thereof 歌礼药业(浙江)有限公司 2019-01-29 — — CN disclosed
CN-105367482-B N acyl sulfonamides apoptosis accelerator 阿斯利康(瑞典)有限公司 2017-12-12 — — CN disclosed
CN-105367482-A N-acylsulfamide apoptosis accelerator ASTRAZENECA AB 2016-03-02 — — CN disclosed
CN-103153954-B N-acylsulfonamide apoptosis promoters ASTRAZENECA AB (SE) 2015-11-25 — — CN disclosed
EP-2718284-A1 TRIAZOLONE COMPOUNDS AS mPGES-1 INHIBITORS Glenmark Pharmaceuticals S.A. (CH) 2014-04-16 — — EP disclosed
WO-2013186692-A1 TRIAZOLONE COMPOUNDS AS mPGES-1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2013-12-19 — — WO disclosed
WO-2004113351-A2 BIFUNCTIONAL AMINO-BORON LEWIS ACID - LEWIS BASE CATALYST UNIVERSITY OF DURHAM (GB) 2004-12-29 — — WO disclosed
WO-1999025682-A1 ELEVATION OF HDL CHOLESTEROL BY 4-[(AMINOTHIOXOMETHYL) -HYDRAZONO] -N-(SUBSTITUTED) -4-ARYLBUTANAMIDES AMERICAN HOME PRODUCTS CORPORATION (US) 1999-05-27 — — WO disclosed
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