SCHEMBL2844201

SCHEMBL2844201

O=CCCOC(=O)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.66
LMNA P02545 2/20 0.61
ALDH1A1 P00352 3/20 0.56
F2 P00734 1/20 0.54
MAPK1 P28482 2/20 0.53
HIF1A Q16665 1/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A3 Q01959 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.50
TSHR P16473 3/20 0.49
ESR1 P03372 1/20 0.49
ESR2 Q92731 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL7297778 0.91 TDP1 (0.75) TDP1LMNAALDH1A1F2MAPK1
SCHEMBL15309020 0.90 ESR1 (0.50) TDP1LMNAALDH1A1MAPK1SLC6A2
SCHEMBL9329294 0.89 TDP1 (0.79) TDP1LMNAALDH1A1MAPK1HIF1A
SCHEMBL1151086 0.87 TDP1 (0.76) TDP1LMNAALDH1A1MAPK1HIF1A
SCHEMBL6821599 0.87 TDP1 (0.76) TDP1LMNAALDH1A1MAPK1HIF1A
Fluorobenzene SCHEMBL27336092 0.85 TDP1 (0.49) TDP1LMNAALDH1A1F2MAPK1
SCHEMBL137486 0.83 TDP1 (0.83) TDP1LMNAALDH1A1F2MAPK1
SCHEMBL25305081 0.83 TDP1 (0.69) TDP1LMNAALDH1A1MAPK1HIF1A
SCHEMBL11518351 0.83 TDP1 (0.63) TDP1LMNAALDH1A1F2MAPK1
SCHEMBL30354555 0.83 TDP1 (0.63) TDP1LMNAALDH1A1F2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5329016-A Antianxiety, hypnotic agents, antiepileptic agents or nootropics YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-07-12 US claimed
US-5175162-A Anxiolytic, antiepilepic agents YOSHITIOMI PHARMACEUTICAL INDUSTRIES LTD. (JP) 1992-12-29 US claimed
EP-4045088-A1 METHOD FOR THE PREPARATION OF POLYMERIC CARRIERS FOR PH- CONTROLLED DRUG RELEASE AND THEIR CONJUGATES WITH DRUGS Ustav Makromolekularni Chemie AV CR, v.v.i. (CZ) 2022-08-24 EP disclosed
US-9242955-B2 Synthesis of cyclic carbonates UNIVERSITY OF YORK (GB) 2016-01-26 US disclosed
CN-102666461-B Ring compound, its production method, radiation-ray sensitive composition and corrosion-resisting pattern formation method MITSUBISHI GAS CHEMICAL CO.,INC. (JP) 2015-09-30 CN disclosed
CN-101679343-B Synthesis of cyclic carbonates in the presence of dimeric aluminium (salen) catalysts UNIV NEWCASTLE 2014-06-18 CN disclosed
CN-103804211-A Synthetic method of 4-(acetyl amino)-2-hydroxy-3-(2-carbonyl ethyl) methyl benzoate TIANJIN WEIJIE TECHNOLOGY CO LTD 2014-05-21 CN disclosed
EP-2146977-B1 SYNTHESIS OF CYCLIC CARBONATES IN THE PRESENCE OF DIMERIC ALUMINIUM (SALEN) CATALYSTS UNIV NEWCASTLE (GB) 2012-11-14 EP disclosed
CN-102766254-A Method for producing liquid crystal polyester SUMITOMO CHEMICAL CO 2012-11-07 CN disclosed
CN-102731751-A Method for producing liquid crystal polyester SUMITOMO CHEMICAL CO 2012-10-17 CN disclosed
CN-101035772-B 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA N.V. (BE) 2011-12-14 CN disclosed
US-5329016-A Antianxiety, hypnotic agents, antiepileptic agents or nootropics YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-07-12 US disclosed
EP-0601184-A1 FUSED PYRIDAZINE COMPOUND AND PHARMACEUTICAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-06-15 EP disclosed
WO-1994011398-A1 CYCLIC COMPOUNDS LINKED BY A HETEROCYCLIC RING USEFUL AS INHIBITORS OF PLATELET GLYCOPROTEIN IIb/IIIa THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-05-26 WO disclosed
EP-0596125-A1 CONDENSED THIOPHENE COMPOUND AND PHARMACEUTICAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-05-11 EP disclosed
US-5175162-A Anxiolytic, antiepilepic agents YOSHITIOMI PHARMACEUTICAL INDUSTRIES LTD. (JP) 1992-12-29 US disclosed
US-5081287-A Pesticidal polyhalo alkenoic acid esters FMC CORPORATION (US) 1992-01-14 US disclosed
EP-0465254-A1 Fused thiophene compounds and uses thereof YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1992-01-08 EP disclosed
EP-0426018-A2 Thiophene compounds and their pharmaceutical uses YOSHITIOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-05-08 EP disclosed
US-4950666-A INSECTS, ACARIDS, AND NEMATODES FMC CORPORATION (US) 1990-08-21 US disclosed