SCHEMBL9253733

SCHEMBL9253733

C[CH]Cc1ccc(OCC)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.61
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
RELA Q04206 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
LTA4H P09960 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.44
LMNA P02545 1/20 0.44
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
PARP10 Q53GL7 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL9133260 0.83 NQO1 (0.56) NQO1TSHRTDP1RELAPRSS1
SCHEMBL27792511 0.83 LMNA (0.50) LTA4HSMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL2559226 0.83 NQO1 (0.61) NQO1TSHRTDP1RELAPRSS1
SCHEMBL27906425 0.81 NQO1 (0.58) NQO1TSHRTDP1RELAPRSS1
SCHEMBL28270126 0.81 NQO1 (0.58) NQO1TSHRTDP1RELAPRSS1
SCHEMBL627031 0.81 SMN1; SMN2 (0.64) NQO1TSHRTDP1RELAPRSS1
SCHEMBL14675118 0.79 NQO1 (0.56) NQO1TSHRTDP1RELALTA4H
SCHEMBL7166779 0.79 SMN1; SMN2 (0.62) NQO1TSHRTDP1RELAPRSS1
SCHEMBL9154630 0.78 ALDH1A1 (0.39) TSHRSMN1; SMN2ALDH1A1
1,4-Diethoxybenzene SCHEMBL28186701 0.78 NQO1 (1.00) NQO1TSHRTDP1RELAPRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100497345-C 2, 3-dihydro-6-nitroimidazolo [2,1-b] oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2009-06-10 CN disclosed
CN-1878777-A 2,3-dihydro-6-nitroimidazo (2,1-b) oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2006-12-13 CN disclosed
US-5401768-A Prostaglandin derivative, antiulcer, hypotensive, anticoagulant TORAY INDUSTRIES, INC. (JP) 1995-03-28 US disclosed
EP-0365678-B1 2,5,6,7-TETRANOR-4,8-INTER-m-PHENYLENE PGI 2 DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND USE THEREOF TORAY INDUSTRIES (JP) 1994-01-05 EP disclosed
EP-0274064-B1 2,5,6,7-TETRANOR-18,18,19,19-TETRADEHYDRO-4,8-INTER-M-PHENYLENE PGI2 DERIVATIVES TORAY INDUSTRIES, INC. (JP) 1992-03-18 EP disclosed
US-5086071-A Improved chemical stability and ppotent in vivo TORAY INDUSTRIES, INC. (JP) 1992-02-04 US disclosed
EP-0232776-B1 2,5,6,7-TETRANOR-4,8-INTER-M-PHENYLENE PGI2 DERIVATIVES TORAY INDUSTRIES, INC. (JP) 1990-10-24 EP disclosed
US-4880939-A ANTISECRETORY AGENTS, HYPOTENSIVES, ANTICOAGULANTS TORAY INDUSTRIES (JP) 1989-11-14 US disclosed
US-4775692-A ANTILIPEMIC, ANTICOAGULANT, HYPOTENSIVE, ANTISECRETORY AND ANTIULCER AGENT TORAY INDUSTRIES, INC. (JP) 1988-10-04 US disclosed
EP-0274064-A2 2,5,6,7-Tetranor-18,18,19,19-tetradehydro-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES, INC. (JP) 1988-07-13 EP disclosed
EP-0232776-A2 2,5,6,7-tetranor-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES, INC. (JP) 1987-08-19 EP disclosed