SCHEMBL8540453

SCHEMBL8540453

C[C](C)Oc1ccc(-c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
GAA P10253 3/20 0.49
LMNA P02545 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
HSD17B10 Q99714 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
PKM P14618 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ELANE P08246 1/20 0.45
MMP3 P08254 1/20 0.44
BCL2L1 Q07817 1/20 0.44
FABP7 O15540 1/20 0.43
FABP3 P05413 1/20 0.43
FABP5 Q01469 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL95954 0.85 CA4 (0.48) MAPTGAALMNATDP1HSD17B10
SCHEMBL16807833 0.84 MAPT (0.51) MAPTGAALMNATDP1HSD17B10
SCHEMBL29399270 0.82 HSD17B10 (0.71) MAPTGAALMNATDP1HSD17B10
SCHEMBL1713590 0.82 HSD17B10 (0.71) MAPTGAALMNATDP1HSD17B10
SCHEMBL9154171 0.82 HSD17B10 (0.71) MAPTGAALMNATDP1HSD17B10
SCHEMBL8538137 0.80 MAPT (0.49) MAPTTDP1FABP7FABP3FABP5
SCHEMBL7319438 0.79 HSD17B10 (0.52) MAPTGAALMNATDP1HSD17B10
SCHEMBL233643 0.76 KMT2A (0.55) MAPTGAALMNATDP1HSD17B10
SCHEMBL2760661 0.76 KMT2A (0.55) MAPTGAALMNATDP1HSD17B10
SCHEMBL17714039 0.76 KMT2A (0.55) MAPTGAALMNATDP1HSD17B10

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
US-5719155-A CARDIOVASCULAR DISORDERS JAPAN TOBACCO INC. (JP) 1998-02-17 US disclosed
EP-0677519-A1 CHROMAN DERIVATIVE AND MEDICINAL USE THEREOF Japan Tobacco Inc. (JP) 1995-10-18 EP 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-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