SCHEMBL743549

SCHEMBL743549

CN(C)C(=O)c1ccco1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.58
CES1 P23141 1/20 0.58
PTPN1 P18031 1/20 0.52
KMT2A Q03164 5/20 0.50
POLB P06746 4/20 0.50
MEN1 O00255 3/20 0.50
ALDH1A1 P00352 2/20 0.50
THRB P10828 1/20 0.50
APEX1 P27695 1/20 0.50
RECQL P46063 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
GFER P55789 1/20 0.49
RAB9A P51151 6/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
TP53 P04637 2/20 0.49
GAA P10253 1/20 0.49
NPC1 O15118 4/20 0.47
PKM P14618 2/20 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
SCHEMBL226605 0.85 CES2 (0.56) CES2CES1PTPN1KMT2APOLB
SCHEMBL5201425 0.83 CES2 (0.54) CES2CES1PTPN1KMT2APOLB
SCHEMBL10724442 0.82 RAB9A (0.53) CES2CES1PTPN1KMT2APOLB
SCHEMBL11229550 0.80 CES2 (0.50) CES2CES1PTPN1KMT2APOLB
SCHEMBL1106996 0.80 CES2 (0.50) CES2CES1PTPN1KMT2APOLB
SCHEMBL11465945 0.80 CES2 (0.50) CES2CES1PTPN1KMT2APOLB
Hydrochloric Acid SCHEMBL11684928 0.80 CES2 (0.50) CES2CES1PTPN1KMT2APOLB
SCHEMBL11465943 0.80 CES2 (0.50) CES2CES1PTPN1KMT2APOLB
SCHEMBL2306849 0.80 CES2 (0.55) CES2CES1PTPN1KMT2APOLB
SCHEMBL23610332 0.79 KMT2A (0.65) CES2CES1PTPN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105745214-B Tricyclic piperidine compounds 埃科特莱茵药品有限公司 2019-02-19 CN claimed
CN-107001358-A Adjust the new pyridine hepyramine compound of istone lysine demethylase (KDM) catalytic activity 东亚ST株式会社 2017-08-01 CN claimed
CN-106928247-A Spiral shell oxindole compounds and its purposes as therapeutic agent 泽农医药公司 2017-07-07 CN claimed
US-5387631-A A dinitro-, diaminoalkane rubber component; rebound resilience, skid resistance and fuel savings THE YOKOHAMA RUBBER CO., LTD. (JP) 1995-02-07 US claimed
US-5017636-A Also containing polyisoprene, natural rubber, butadiene-styrene copolymer, wear and heat resistance, resilience JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1991-05-21 US claimed
US-4894409-A BLEND OR AMINO GROUP CONTAINING DIENE POLYMER AND SILICA FILLER NONCRACKING, WEAR RESISTANCE JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1990-01-16 US claimed
US-4822844-A MODIFIED WITH NITROGEN COMPOUND CONTAINING EITHER OXYGEN OR SULFUR AS BRANCHING OR END GROUP THE YOKOHAMA RUBBER CO., LTD. (JP) 1989-04-18 US claimed
CN-117342963-B 1, 4-Dicarbonyl compound, and preparation method and application thereof 上海予君生物科技发展有限公司 2025-06-17 CN disclosed
EP-3778654-B1 METHOD FOR PRODUCING CONJUGATED DIENE RUBBER ZEON CORP (JP) 2025-02-26 EP disclosed
CN-115697993-B Pyrimidine compounds as AXL inhibitors 南京正大天晴制药有限公司 2024-12-10 CN disclosed
CN-117342963-A 1, 4-dicarbonyl compound, and preparation method and application thereof 上海予君生物科技发展有限公司 2024-01-05 CN disclosed
CN-108658816-B N-aryl amidine substituted trifluoroethyl sulfide derivatives useful as acaricides and insecticides 拜尔农作物科学股份公司 2023-05-02 CN disclosed
CN-115697993-A Pyrimidines as AXL inhibitors 南京正大天晴制药有限公司 2023-02-03 CN disclosed
US-4458081-A ANTIINFLAMMATORY, ANALGESIC, ANTICOAGULANT, MUSCLE RELAXANT SYNTEX (U.S.A.) INC. (US) 1984-07-03 US disclosed
US-4454326-A 5-Aroyl 6-chloro or 6-bromo 1,2-dihydro-3H-pyrrolo[1,2-a]pyrrole-1,1-di-carboxylates SYNTEX (U.S.A.) INC. (US) 1984-06-12 US disclosed
US-4410534-A 3-Substituted-5,6,7,8-tetrahydropyrrolo[1,2-a]-pyridine-and 6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]-azepine carboxylic acid derivatives useful as blood platelet aggregation inhibitors SYNTEX (U.S.A.) INC. (US) 1983-10-18 US disclosed
US-4347187-A Process for preparing 5-aroyl 1,2-dihydro-3H-pyrrolo[1,2-a]pyrrole-1-carboxylic acids and novel intermediates therein SYNTEX (U.S.A.) INC. (US) 1982-08-31 US disclosed
US-4347186-A Process for preparing 5-aroyl 1,2-dihydro-3-H pyrrolo[1,2-a]pyrrole-1-carboxylic acids and novel intermediates therein SYNTEX (U.S.A.) INC. (US) 1982-08-31 US disclosed
US-4344943-A ANALGESICS, ANTIINFLAMMATORY AGENTS SYNTEX (U.S.A.) INC. (US) 1982-08-17 US disclosed
US-4087539-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS, SMOOTH MUSCLE RELAXANTS SYNTEX (U.S.A.) INC. (US) 1978-05-02 US disclosed