SCHEMBL747380

SCHEMBL747380

O=C(O)C1=CCCCC1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.38
GSTP1 P09211 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
HCAR2 Q8TDS4 2/20 0.37
HCAR3 P49019 1/20 0.37
TP53 P04637 1/20 0.36
ACMSD Q8TDX5 1/20 0.36
MAPT P10636 2/20 0.35
ALOX15 P16050 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 2/20 0.33
THRB P10828 1/20 0.33
MAOA P21397 1/20 0.32

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
SCHEMBL4194302 0.86
SCHEMBL11883308 0.80 HIF1A (0.37) HIF1AGSTP1HDAC4HDAC2HDAC8
SCHEMBL10933450 0.80 GSTP1 (0.40) HIF1AGSTP1HDAC4HDAC2HDAC8
SCHEMBL819903 0.78 CCR2 (0.35) HDAC4HDAC2HDAC8HDAC6HDAC3
SCHEMBL2897987 0.77 ALDH1A1 (0.45) TP53MAPTALOX15CYP3A4CYP2C19
SCHEMBL6575838 0.75 HDAC4 (0.41) HIF1AGSTP1HDAC4HDAC2HDAC8
SCHEMBL15957896 0.75 PTPN1 (0.39) HCAR2HCAR3CYP3A4
SCHEMBL30571443 0.74 HIF1A (0.36) HIF1AGSTP1HDAC4HDAC2HDAC8
SCHEMBL3369781 0.74 MAPT (0.37) HIF1AGSTP1HDAC4HDAC2HDAC8
SCHEMBL1355431 0.72 TSHR (0.37) TP53ALOX15MAOAMAOBTSHR

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0156773-B1 DERIVATIVES OF CYCLOHEXENONE CARBOXYLICACID WITH HERBICIDE ACTION AND THE ABILITY TO REGULATE THE GROWTH OF PLANTS CIBA-GEIGY AG (CH) 1989-09-06 EP claimed
US-4797152-A CONTROLLING GRASSES IN CROPS CIBA-GEIGY CORPORATION (US) 1989-01-10 US claimed
US-4640706-A Cyclohexenonecarboxylic acid derivatives with herbicidal and plant growth regulating properties CIBA-GEIGY CORPORATION (US) 1987-02-03 US claimed
EP-0049848-B1 PROCESS FOR THE PREPARATION OF 2,6-DISUBSTITUTED 4-HYDROXY-BENZOIC ACIDS AND THEIR ESTERS HOECHST AKTIENGESELLSCHAFT (DE) 1984-12-12 EP claimed
US-9139853-B2 Organisms for the production of cyclohexanone GENOMATICA, INC. (US) 2015-09-22 US disclosed
US-20140356919-A1 ORGANISMS FOR THE PRODUCTION OF CYCLOHEXANONE GENOMATICA INC (US) 2014-12-04 US disclosed
US-8663957-B2 Organisms for the production of cyclohexanone GENOMATICA, INC. (US) 2014-03-04 US disclosed
US-20120329111-A1 Microorganisms for Producing Cyclohexanone and Methods Related Thereto GENOMATICA, INC. (US) 2012-12-27 US disclosed
EP-2429587-A1 ORGANISMS FOR THE PRODUCTION OF CYCLOHEXANONE Genomatica, Inc. (US) 2012-03-21 EP disclosed
US-20110014668-A1 ORGANISMS FOR THE PRODUCTION OF CYCLOHEXANONE GENOMATICA, INC. 2011-01-20 US disclosed
WO-2010132845-A1 ORGANISMS FOR THE PRODUCTION OF CYCLOHEXANONE GENOMATICA, INC. (US) 2010-11-18 WO disclosed
US-4797152-A CONTROLLING GRASSES IN CROPS CIBA-GEIGY CORPORATION (US) 1989-01-10 US disclosed
US-4797152-A CONTROLLING GRASSES IN CROPS CIBA-GEIGY CORPORATION (US) 1989-01-10 US disclosed
US-4797152-A CONTROLLING GRASSES IN CROPS CIBA-GEIGY CORPORATION (US) 1989-01-10 US disclosed
US-4640706-A Cyclohexenonecarboxylic acid derivatives with herbicidal and plant growth regulating properties CIBA-GEIGY CORPORATION (US) 1987-02-03 US disclosed
US-4640706-A Cyclohexenonecarboxylic acid derivatives with herbicidal and plant growth regulating properties CIBA-GEIGY CORPORATION (US) 1987-02-03 US disclosed
US-4640706-A Cyclohexenonecarboxylic acid derivatives with herbicidal and plant growth regulating properties CIBA-GEIGY CORPORATION (US) 1987-02-03 US disclosed
EP-0156773-A2 Derivatives of cyclohexenone carboxylicacid with herbicide action and the ability to regulate the growth of plants CIBA-GEIGY AG (CH) 1985-10-02 EP disclosed
EP-0049848-A1 Process for the preparation of 2,6-disubstituted 4-hydroxy-benzoic acids and their esters HOECHST AKTIENGESELLSCHAFT (DE) 1982-04-21 EP disclosed