SCHEMBL2774579

SCHEMBL2774579

O=C(C1=CCCC1)C1=CCCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 6/20 0.60
HDAC1 Q13547 5/20 0.60
HDAC3 O15379 4/20 0.60
HDAC4 P56524 2/20 0.60
HDAC8 Q9BY41 2/20 0.60
HDAC6 Q9UBN7 2/20 0.60
HDAC7 Q8WUI4 1/20 0.60
HDAC5 Q9UQL6 1/20 0.60
CTSK P43235 1/20 0.41
CCR2 P41597 1/20 0.34
TSHR P16473 1/20 0.33
SLC6A1 P30531 1/20 0.33
SLC6A13 Q9NSD5 1/20 0.33
LMNA P02545 1/20 0.33
ACMSD Q8TDX5 1/20 0.32
BLM P54132 1/20 0.32
OAT P04181 1/20 0.31
GSTP1 P09211 1/20 0.31
HIF1A Q16665 1/20 0.31
GRM2 Q14416 1/20 0.30

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
SCHEMBL9028437 0.95 HDAC2 (0.59) HDAC2HDAC1HDAC3HDAC4HDAC8
SCHEMBL324368 0.92 HDAC2 (0.61) HDAC2HDAC1HDAC3HDAC4HDAC8
SCHEMBL28074385 0.90 HDAC2 (0.59) HDAC2HDAC1HDAC3HDAC4HDAC8
SCHEMBL27706784 0.90 HDAC2 (0.59) HDAC2HDAC1HDAC3HDAC4HDAC8
SCHEMBL27412319 0.90 HDAC2 (0.59) HDAC2HDAC1HDAC3HDAC4HDAC8
SCHEMBL6965531 0.83
SCHEMBL502595 0.81
SCHEMBL8533642 0.80 ALDH1A1 (0.50) HDAC2HDAC1HDAC3HDAC4HDAC8
SCHEMBL2597101 0.79 HDAC4 (0.37) HDAC2HDAC1HDAC3HDAC4HDAC8
Hydrochloric Acid SCHEMBL10803110 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106010797-B A kind of burnt fragrant and sweet fragrance of the malt prepared using melanoidin malt as raw material and its application in electronic cigarette ZHENGZHOU TOBACCO RESEARCH INSTITUTE OF CNTC (CN) 2019-10-29 CN claimed
CN-110105318-A A kind of green synthesis method of alpha-pyrone compound 南京林业大学 2019-08-09 CN claimed
CN-106518643-B A kind of cyclopentene ketone compounds and its preparation method and application 宁波大学 2019-02-15 CN claimed
CN-109096082-A A method of synthesis alpha-iodine is for cyclopentene ketone compounds 南京林业大学 2018-12-28 CN claimed
CN-106165906-B Suitable for the burnt fragrant and sweet spices of the malt of cigarette products and the application tobacco product 中国烟草总公司郑州烟草研究院 2018-03-09 CN claimed
CN-106966886-A A kind of cyclopentene ketone compounds and its preparation method and application 宁波大学 2017-07-21 CN claimed
CN-105707833-A High-sweetness sucralose 李云军 2016-06-29 CN claimed
CN-103300340-A Fish essence and preparation method thereof TIANJIN CHUNFA BIO TECH GROUP 2013-09-18 CN claimed
US-8206854-B2 Hydrogen odorization ENERSOL INC., N.A.L.P. (US) 2012-06-26 US claimed
CN-101993330-A Method for preparing multi-substituted cyclopentadiene and substituted indene CHINA PETROLEUM & CHEMICAL 2011-03-30 CN claimed
US-20100171079-A1 HYDROGEN ODORIZATION ENERSOL, INC., N.A. L.P. (US) 2010-07-08 US claimed
WO-2009143327-A1 HYDROGEN ODORIZATION ENERSOL, INC.., N.A. L.P. (US) 2009-11-26 WO claimed
CN-101208288-A Process for producing substituted cyclopentanone ASAHI CHEMICAL CORP (JP) 2008-06-25 CN claimed
CN-1310322-C Layer insulated film and its forming method and polymer composition MATSUSHITA ELECTRIC INDUSTRIAL CO LTD (JP) 2007-04-11 CN claimed
CN-1476087-A Layer insulated film and its forming method and polymer composition ���µ�����ҵ��ʽ���� 2004-02-18 CN claimed
CN-121850845-A Method for synthesizing cyclopentenyl ketone by nickel-aluminum catalysis 南开大学 2026-04-14 CN disclosed
CN-121850845-A Method for synthesizing cyclopentenyl ketone by nickel-aluminum catalysis 南开大学 2026-04-14 CN disclosed
US-4189597-A PROSTAGLANDINS, BRONCHODILATORS AMERICAN CYANAMID COMPANY (US) 1980-02-19 US disclosed
US-4154959-A 11-(2-Hydroxyethylthio)prostenoic acid E series derivatives AMERICAN CYANAMID COMPANY (US) 1979-05-15 US disclosed
US-4093661-A METAL OXIDE CATALYSTS, PRODUCING ALDEHYDES OR KETONES UNION CARBIDE CORPORATION (US) 1978-06-06 US disclosed