SCHEMBL934637

SCHEMBL934637

COc1ccccc1C(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.58
NPSR1 Q6W5P4 1/20 0.58
HPGD P15428 3/20 0.53
ALDH1A1 P00352 2/20 0.53
CTSD P07339 1/20 0.51
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
XBP1 P17861 1/20 0.50
KMT2A Q03164 2/20 0.49
GAA P10253 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
STAT3 P40763 1/20 0.49
RAB9A P51151 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPC1 O15118 3/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
HTT P42858 3/20 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
SCHEMBL30822582 0.98 MAPT (0.56) MAPTNPSR1HPGDALDH1A1CTSD
SCHEMBL6556774 0.87 ELANE (0.44) MAPTNPSR1HPGDALDH1A1ESR1
SCHEMBL448369 0.85 ELANE (0.43) MAPTNPSR1HPGDALDH1A1ESR1
SCHEMBL2711658 0.85 ELANE (0.43) MAPTNPSR1HPGDALDH1A1ESR1
SCHEMBL15110860 0.84 KMT2A (0.54) MAPTHPGDALDH1A1KMT2AGAA
SCHEMBL30573376 0.84 ALDH1A1 (0.48) MAPTNPSR1HPGDALDH1A1ESR1
SCHEMBL30111657 0.84 TSHR (0.50) ALDH1A1KMT2ATSHRMAPK1HSD17B10
SCHEMBL109178 0.84 TSHR (0.50) ALDH1A1KMT2ATSHRMAPK1HSD17B10
SCHEMBL8127239 0.84 ELANE (0.42) MAPTNPSR1HPGDALDH1A1ESR1
SCHEMBL1023381 0.84 ELANE (0.42) MAPTNPSR1HPGDALDH1A1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116262736-B Novel oxo-pyridine compound and preparation method and application thereof 成都施贝康生物医药科技有限公司 2025-05-13 CN disclosed
CN-113227071-B Amide-substituted heterocyclic compounds for the treatment of disorders associated with modulation of IL-12, IL-23 and/or IFN-alpha 百时美施贵宝公司 2024-06-25 CN disclosed
CN-117693511-A Penicillin binding protein inhibitors 维纳拓尔斯制药公司 2024-03-12 CN disclosed
CN-116262736-A Novel oxo-pyridine compound and preparation method and application thereof 成都施贝康生物医药科技有限公司 2023-06-16 CN disclosed
WO-2020122182-A1 AMINO ACID HAVING FUNCTIONAL GROUP CAPABLE OF INTERMOLECULAR HYDROGEN BONDING, PEPTIDE COMPOUND CONTAINING SAME AND METHOD FOR PRODUCTION THEREOF 中外製薬株式会社 2020-06-18 WO disclosed
CN-105101970-B β -lactamase inhibitor 维纳拓尔斯制药公司 2018-11-20 CN disclosed
CN-104829756-B A kind of solid catalyst component for olefine polymerization and its preparation method and application 中国科学院化学研究所 2018-05-15 CN disclosed
CN-107995912-A MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE 里珍纳龙药品有限公司 2018-05-04 CN disclosed
CN-105026407-B Beta-lactamase inhibitors 维纳拓尔斯制药公司 2017-09-08 CN disclosed
US-9624211-B2 Anti-cancer compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-04-18 US disclosed
CN-104829756-A Solid catalyst component for olefin polymerization, and preparation method and application thereof CHINESE ACAD INST CHEMISTRY 2015-08-12 CN disclosed
CN-102127023-B 7-membered ring compound, process for producing the same, and use thereof DAIICHI SANKYO CO LTD 2013-02-06 CN disclosed
CN-101495463-B Seven-membered ring compound, production method thereof and pharmaceutical use thereof DAIICHI SANKYO CO LTD 2012-08-15 CN disclosed
CN-102127023-A 7-membered ring compound, process for producing the same, and use thereof DAIICHI ASUBIO PHARMA CO LTD 2011-07-20 CN disclosed
CN-101160290-B 7-membered ring compound, process for producing the same, and pharmaceutical use thereof DAIICHI SANKYO CO LTD 2011-01-19 CN disclosed
WO-2010130708-A9 BETA-LACTAMASE INHIBITORS NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-01-13 WO disclosed
WO-2010130708-A1 BETA-LACTAMASE INHIBITORS NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2010-11-18 WO disclosed
CN-101495463-A Seven-membered ring compound, production method thereof and pharmaceutical use thereof ASUBIO PHARMA CO LTD (JP) 2009-07-29 CN disclosed
CN-101160290-A 7-membered ring compound, process for producing the same, and pharmaceutical use thereof ASUBIO PHARMA CO LTD (JP) 2008-04-09 CN disclosed
CN-1910477-A Optical resin lens and method for producing optical resin material KONICA MINOLTA OPTO INC (JP) 2007-02-07 CN disclosed