SCHEMBL339507

SCHEMBL339507

CN(C)C(=O)Cc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.56
CES1 P23141 1/20 0.56
AKR1B1 P15121 1/20 0.56
ALOX5 P09917 2/20 0.54
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
TRPM8 Q7Z2W7 1/20 0.51
NUDT1 P36639 1/20 0.51
REN P00797 1/20 0.49
KMT2A Q03164 2/20 0.48
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
MEN1 O00255 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
LTB4R Q15722 1/20 0.47
LTB4R2 Q9NPC1 1/20 0.47
PARP1 P09874 1/20 0.47

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
Hydrochloric Acid SCHEMBL68638 0.98 CES2 (0.54) CES2CES1AKR1B1ALOX5NPC1
SCHEMBL20888587 0.88 LMNA (0.62) ALOX5NUDT1KMT2ACA12CA9
Toluene SCHEMBL5404912 0.86 TDP1 (0.53) ALOX5TRPM8NUDT1KMT2AMEN1
SCHEMBL2948755 0.84 ALOX5 (0.72) CES2CES1AKR1B1ALOX5NPC1
SCHEMBL27699387 0.84 CES2 (0.54) CES2CES1AKR1B1ALOX5NPC1
SCHEMBL10567198 0.84 CA2 (0.56) AKR1B1NUDT1LTB4RLTB4R2
SCHEMBL10048247 0.83 SMN1; SMN2 (0.66) ALOX5LTB4RLTB4R2
SCHEMBL3132030 0.83 ALOX5 (0.83) ALOX5LTB4RLTB4R2
SCHEMBL15477428 0.83 CES2 (0.52) CES2CES1AKR1B1ALOX5NPC1
SCHEMBL4430452 0.83 CES2 (0.52) CES2CES1AKR1B1ALOX5NPC1

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 297 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4727996-A1 METHOD FOR REMOVAL OF ADDITIVES FROM A POLYMERIC MATERIAL BASF SE (DE) 2026-04-22 EP claimed
WO-2024260970-A1 METHOD FOR REMOVAL OF ADDITIVES FROM A POLYMERIC MATERIAL BASF SE (DE) 2024-12-26 WO claimed
CN-104557599-B Preparation and splitting method of 2-acyl amino-3-biphenylylpropionic acid 浙江九洲药业股份有限公司 2017-02-22 CN claimed
CN-105399666-A Fungicide hydroxyimino-heterocyclic derivatives BAYER CROSPSCIENCE AG 2016-03-16 CN claimed
CN-103781780-B As the heterocyclyl pyrimidines analogue of JAK inhibitor CELLZOME LTD. (GB) 2015-11-25 CN claimed
CN-102725270-B Fungicide hydroxyimino-heterocyclic derivatives BAYER CROPSCIENCE AG (DE) 2015-10-07 CN claimed
CN-103781780-A Heterocyclyl pyrimidine analogues as JAK inhibitors CELLZOME LTD 2014-05-07 CN claimed
US-8703990-B2 Process for manufacture and resolution of 2-acylamino-3-diphenylpropanoic acid Zhejiang Jiuzhous Pharmaceutical Co., Ltd. (CN) 2014-04-22 US claimed
CN-101309909-B 2-phenylethylamino derivatives as calcium and/or sodium channel modulators NEWRON PHARM SPA 2012-11-14 CN claimed
CN-102725270-A Fungicide hydroxyimino-heterocyclic derivatives BAYER CROPSCIENCE AG 2012-10-10 CN claimed
CN-101309909-A 2-phenylethylamino derivatives as calcium and/or sodium channel modulators NEWRON PHARM SPA (IT) 2008-11-19 CN claimed
US-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 US claimed
JP-H08512028-A 1996-12-17 JP claimed
EP-0705245-A1 NOVEL INTERMEDIATES FOR THE PREPARATION OF ANTIHISTAMINIC 4-DIPHENYLMETHYL/DIPHENYLMETHOXY PIPERIDINE DERIVATIVES MERRELL PHARMACEUTICALS INC. (US) 1996-04-10 EP claimed
CN-1109050-A Catecholamine surrogates useful as beta3 agonists BRISTOL MYERS SQUIBB CO (US) 1995-09-27 CN claimed
WO-1995000480-A1 NOVEL INTERMEDIATES FOR THE PREPARATION OF ANTIHISTAMINIC 4-DIPHENYLMETHYL/DIPHENYLMETHOXY PIPERIDINE DERIVATIVES MERRELL PHARMACEUTICALS INC. (US) 1995-01-05 WO claimed
EP-4728000-A1 PROCESS FOR RECOVERY OF A POLYALKYLENE TEREPHTHALATE BASED POLYMER FROM A COLORED POLYMERIC MATERIAL BASF SE (DE) 2026-04-22 EP disclosed
EP-4727998-A1 PROCESS FOR RECYCLING OF A COLORED POLYMERIC MATERIAL INCLUDING DISCOLORATION AND CHEMICAL PROCESSING BASF SE (DE) 2026-04-22 EP disclosed
US-4083849-A Process for preparation of 5-cyanopyrid-6-ones BASF AKTIENGESELLSCHAFT (DT) 1978-04-11 US disclosed
US-3978096-A Production of 1-chloroanthraquinone BASF AKTIENGESELLSCHAFT (DT) 1976-08-31 US disclosed