SCHEMBL9255310

SCHEMBL9255310

C[C](C)Oc1ccc(Cl)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.48
SLC6A4 P31645 4/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A3 Q01959 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KMO O15229 1/20 0.41
CHRNA3 P32297 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
AHR P35869 1/20 0.39
TP53 P04637 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HAO1 Q9UJM8 1/20 0.38
HTR2A P28223 3/20 0.38
KCNH2 Q12809 3/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38

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
SCHEMBL473532 0.83 LMNA (0.52) HSP90AA1KDM4EALDH1A1LMNAKMO
SCHEMBL9507367 0.79 KDM4E (0.44) HSP90AA1KDM4EALDH1A1LMNAKMO
SCHEMBL3780946 0.77 ELANE (0.50) HSP90AA1KDM4EALDH1A1LMNAKMO
SCHEMBL7165371 0.76 HSP90AA1 (0.47) HSP90AA1SLC6A4SLC6A2SLC6A3KDM4E
SCHEMBL1587868 0.76 KDM4E (0.47) HSP90AA1SLC6A4SLC6A2SLC6A3KDM4E
SCHEMBL11124119 0.75 KMO (0.44) HSP90AA1SLC6A4SLC6A2SLC6A3KDM4E
SCHEMBL23753577 0.74 MEN1 (0.57) HSP90AA1SLC6A4KDM4EALDH1A1LMNA
SCHEMBL9485744 0.74 KMO (0.46) HSP90AA1SLC6A4SLC6A2SLC6A3KDM4E
SCHEMBL11627822 0.74 HSP90AA1 (0.46) HSP90AA1SLC6A4SLC6A2SLC6A3KDM4E
SCHEMBL18697332 0.74 KMO (0.46) HSP90AA1SLC6A4SLC6A2SLC6A3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-0389162-B1 2,5,6,7-Tetranor-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES (JP) 1993-12-08 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
EP-0389162-A1 2,5,6,7-Tetranor-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES, INC. (JP) 1990-09-26 EP disclosed
EP-0365678-A1 2,5,6,7-TETRANOR-4,8-INTER-m-PHENYLENE PGI 2 DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 1990-05-02 EP disclosed
US-4775692-A ANTILIPEMIC, ANTICOAGULANT, HYPOTENSIVE, ANTISECRETORY AND ANTIULCER AGENT TORAY INDUSTRIES, INC. (JP) 1988-10-04 US 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