SCHEMBL9259271

SCHEMBL9259271

CC(C)Oc1ccc(Br)cc1Br

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.58
ALDH1A1 P00352 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
TSHR P16473 1/20 0.50
LMNA P02545 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
ATM Q13315 2/20 0.48
MAPT P10636 2/20 0.46
HTT P42858 2/20 0.46
HPGD P15428 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALOX12 P18054 3/20 0.44
POLB P06746 1/20 0.44
HSD11B1 P28845 1/20 0.43
ALOX15 P16050 6/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
XDH P47989 1/20 0.40

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
SCHEMBL16956140 0.81 CYP1A2 (0.46) MAPK1ALDH1A1TDP1L3MBTL1TSHR
SCHEMBL28373416 0.81 ALDH1A1 (0.44) ALDH1A1LMNASMN1; SMN2ATMHPGD
SCHEMBL2284093 0.81 ALDH1A1 (0.43) MAPK1ALDH1A1TDP1L3MBTL1TSHR
SCHEMBL6113174 0.79 XDH (0.38) MAPK1ALDH1A1TDP1L3MBTL1LMNA
SCHEMBL4349038 0.79 PKM (0.46) MAPK1ALDH1A1TDP1L3MBTL1MAPT
SCHEMBL1272998 0.79 ALDH1A1 (0.42) MAPK1ALDH1A1TDP1L3MBTL1LMNA
SCHEMBL16956138 0.79 XDH (0.38) MAPK1ALDH1A1TDP1L3MBTL1LMNA
SCHEMBL15056398 0.79 XDH (0.41) MAPK1ALDH1A1TDP1L3MBTL1LMNA
SCHEMBL3719136 0.79 XDH (0.41) ALDH1A1LMNASMN1; SMN2ATMMAPT
SCHEMBL1330449 0.79 SLC6A4 (0.49) MAPK1ALDH1A1TDP1L3MBTL1LMNA

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 8 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-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