SCHEMBL1024204

SCHEMBL1024204

CC(Br)OC(=O)OC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.42
CYP19A1 P11511 3/20 0.41
NAAA Q02083 2/20 0.39
HTT P42858 1/20 0.38
CYP2C19 P33261 2/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
CTSK P43235 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL1240113 0.86 EPHX1 (0.43) EPHX1CYP19A1NAAAHTTCYP2C19
Cilexetil SCHEMBL3483374 0.84 EPHX1 (0.44) EPHX1CYP19A1NAAAHTTCYP2C19
SCHEMBL16731836 0.84 EPHX1 (0.44) EPHX1CYP19A1NAAAHTTCYP2C19
SCHEMBL1240114 0.82 EPHX1 (0.43) EPHX1CYP19A1NAAAHTTCYP2C19
SCHEMBL3483069 0.82 EPHX1 (0.41) EPHX1CYP19A1NAAAHTTCYP2C19
SCHEMBL9977695 0.81 RAB9A (0.36) EPHX1CYP19A1TSHR
SCHEMBL305826 0.81 EPHX1 (0.42) EPHX1CYP19A1NAAAHTTCYP2C19
SCHEMBL6896991 0.81 EPHX1 (0.42) EPHX1CYP19A1NAAAHTTCYP2C19
SCHEMBL16840154 0.81 EPHX1 (0.42) EPHX1CYP19A1NAAAHTTCYP2C19
SCHEMBL16622507 0.81 EPHX1 (0.42) EPHX1CYP19A1NAAAHTTCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139866-B1 CRYSTALLINE 1-(CYCLOHEXYLOXYCARBONYLOXY) ETHYL 1-((2'-CYANOBIPHENYL-4-YL)METHYL)-2-ETHOXY-1H-BENZO[D]IMIDAZOLE-7-CARBOXYLATE AND A PROCESS FOR ITS PREPARATION KRKA D D NOVO MESTO (SI) 2011-01-12 EP claimed
EP-2139866-A2 CRYSTALLINE 1-(CYCLOHEXYLOXYCARBONYLOXY) ETHYL 1-((2'-CYANOBIPHENYL-4-YL)METHYL)-2-ETHOXY-1H-BENZO[D]IMIDAZOLE-7-CARBOXYLATE AND A PROCESS FOR ITS PREPARATION KRKA, D.D., Novo Mesto (SI) 2010-01-06 EP claimed
WO-2008129077-A2 CRYSTALLINE 1-(CYCLOHEXYLOXYCARBONYLOXY) ETHYL 1-((2'-CYANOBIPHENYL-4-YL)METHYL)-2-ETHOXY-1H-BENZO[D]IMIDAZOLE-7-CARBOXYLATE AND A PROCESS FOR ITS PREPARATION KRKA, D.D. NOVO MESTO (SI) 2008-10-30 WO claimed
CN-102558181-B Preparation method of carbapenems CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY SHIJIAZHUAN 2015-04-22 CN disclosed
WO-2012079504-A1 PROCESS FOR PREPARING CARBAPENEM ANTIBIOTICS 石药集团中奇制药技术(石家庄)有限公司 (CN) 2012-06-21 WO disclosed
US-5750735-A CHEMICAL INTERMEDIATES FOR ANTIBIOTICS AMERICAN CYANAMID COMPANY (US) 1998-05-12 US disclosed
US-5744465-A Method of inhibiting a β-lactamase enzyme by administering novel 2-thiosubstituted carbapenems AMERICAN CYANAMID COMPANY (US) 1998-04-28 US disclosed
US-5623081-A USING BENZYLOXYACETALDEHYDE DIMETHYL ETHER, HALOGENATED 1-PHENYLMETHOXY-4-PENTEN-2-OL; CYCLIZATION LIN YANG-I (US) 1997-04-22 US disclosed
US-5602118-A A 2-((2-SUBSTITUTED ALKYL)FUR-3-YL)-THIO-),3-CARBOXY-2-CARBOPENEM DERIVATIVES; EFFECTIVE AGAINST BETA-LACTAM ANTIBIOTIC-RESISTANT BACTERIA AMERICAN CYANAMID COMPANY (US) 1997-02-11 US disclosed
EP-0665847-A1 CEPHEM COMPOUNDS, AND THEIR PHARMACEUTICAL COMPOSITIONS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-08-09 EP disclosed
EP-0639193-A1 ESTERS OF ANTIBACTERIAL CONDENSED CARBAPENEME DERIVATIVES GLAXO S.p.A. (IT) 1995-02-22 EP disclosed
EP-0617036-A2 Novel 2-thiosubstituted carbapenems AMERICAN CYANAMID COMPANY (US) 1994-09-28 EP disclosed
WO-1994010177-A1 CEPHEM COMPOUNDS, AND THEIR PHARMACEUTICAL COMPOSITIONS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-05-11 WO disclosed
WO-1992015588-A1 ESTERS OF ANTIBACTERIAL CONDENSED CARBAPENEME DERIVATIVES GLAXO S.P.A. (IT) 1992-09-17 WO disclosed
EP-0502465-A1 Esters of antibacterial condensed carbapenemederivatives GLAXO S.p.A. (IT) 1992-09-09 EP disclosed