SCHEMBL5616701

SCHEMBL5616701

O=C(O)C(C(=O)O)C1CCC(C(C(=O)O)C(=O)O)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 1/20 0.33
CPB2 Q96IY4 1/20 0.33
SLC1A2 P43004 2/20 0.32
SLC1A1 P43005 2/20 0.32
ALOX5 P09917 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.32
THRB P10828 1/20 0.32
RECQL P46063 1/20 0.32
EPHX1 P07099 1/20 0.31
ABCB11 O95342 1/20 0.30
F2 P00734 1/20 0.30
TP53 P04637 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
KMT2A Q03164 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
SCHEMBL1645240 1.00 CPN1 (0.33) CPN1CPB2SLC1A2SLC1A1ALOX5
SCHEMBL7766019 0.89 SHBG (0.41) TSHR
SCHEMBL28379991 0.88 SLC1A2 (0.34) CPN1CPB2SLC1A2SLC1A1ALOX5
SCHEMBL4233684 0.88 EPHX1 (0.39) CPN1CPB2SLC1A2SLC1A1ALDH1A1
SCHEMBL4611368 0.88 EPHX1 (0.44) CPN1CPB2ALDH1A1TSHREPHX1
SCHEMBL7761633 0.87 DPP4 (0.37) CPB2SLC1A2SLC1A1ALOX5EPHX1
SCHEMBL7761639 0.87 DPP4 (0.37) CPB2SLC1A2SLC1A1ALOX5EPHX1
SCHEMBL431289 0.85 EPHX1 (0.48) ALDH1A1EPHX1TP53KDM4EMAPT
SCHEMBL14456397 0.85 EPHX1 (0.48) ALDH1A1EPHX1TP53KDM4EMAPT
SCHEMBL19926140 0.83 CPN1 (0.33) CPN1CPB2SLC1A2SLC1A1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111672508-B Preparation and application of catalyst for preparing 1,4-dimethyl cyclohexanedicarboxylate through dimethyl terephthalate hydrogenation 中国天辰工程有限公司 2023-03-14 CN claimed
CN-114789056-A Hydrogenation catalyst, preparation method and application thereof 中国科学院过程工程研究所 2022-07-26 CN claimed
CN-109894131-B Dimethyl terephthalate (DMT) hydrogenation catalyst and preparation method thereof 中国科学院大连化学物理研究所 2022-03-08 CN claimed
CN-110343413-B Nitrogen-phosphorus intumescent flame retardant and preparation method thereof in application of waterborne polyurethane coating 烟台大学 2021-01-08 CN claimed
CN-101107071-B Hydroprocessing catalyst, preparation method thereof and use of same TOTAL FRANCE 2011-05-18 CN claimed
CN-115301248-A Catalyst for preparing 1,4-cyclohexanedimethanol and preparation method and application thereof 中国石油化工股份有限公司 2022-11-08 CN disclosed
CN-114789056-A Hydrogenation catalyst, preparation method and application thereof 中国科学院过程工程研究所 2022-07-26 CN disclosed
CN-109776271-B Purification method and decolorization method of 1, 4-cyclohexanedimethanol crude product 中国石油天然气股份有限公司 2022-07-05 CN disclosed
CN-109776321-B Purification method and decolorization method of 1, 4-cyclohexane dimethyl phthalate crude product 中国石油天然气股份有限公司 2022-02-01 CN disclosed
CN-112691674-A Ester hydrogenation catalyst, preparation method and application thereof 中国石油化工股份有限公司 2021-04-23 CN disclosed
CN-112409405-A Nitrogen-phosphorus intumescent flame retardant and preparation method thereof in application of waterborne polyurethane coating 烟台大学 2021-02-26 CN disclosed
CN-108947842-B Method for preparing 1, 4-cyclohexane dimethyl phthalate by hydrogenating dimethyl terephthalate under ruthenium-rhenium bimetallic catalysis 大连理工大学 2021-02-26 CN disclosed
CN-110343413-B Nitrogen-phosphorus intumescent flame retardant and preparation method thereof in application of waterborne polyurethane coating 烟台大学 2021-01-08 CN disclosed
CN-111187167-A Process for preparing dimethyl 1, 4-cyclohexanedicarboxylate 中国石油化学工业开发股份有限公司 2020-05-22 CN disclosed
CN-101626825-B Polyester production system using an unstirred esterification reactor EASTMAN CHEM CO US 2014-06-04 CN disclosed
CN-101107071-B Hydroprocessing catalyst, preparation method thereof and use of same TOTAL FRANCE 2011-05-18 CN disclosed
CN-100512948-C Polyester process using a tubular reactor EASTMAN CHEM CO (US) 2009-07-15 CN disclosed
US-20070167544-A1 Ignition resistant polycarbonate polyester composition GENERAL ELECTRIC COMPANY 2007-07-19 US disclosed
CN-1802203-A Polyester process using a tubular reactor EASTMAN CHEM CO (US) 2006-07-12 CN disclosed
CN-1742013-A Pyrazolopyrimidine compound and method for producing the same TANABE SEIYAKU CO (JP) 2006-03-01 CN disclosed