SCHEMBL9255947

SCHEMBL9255947

COP(C)(=O)OCC(=O)c1ccc(C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 3/20 0.47
GSK3B P49841 1/20 0.46
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
CTNNB1 P35222 1/20 0.43
WNT3A P56704 1/20 0.43
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 2/20 0.42
MAPK1 P28482 1/20 0.42
TP53 P04637 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
CYP1A2 P05177 1/20 0.41

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
SCHEMBL9250126 0.85 NPC1 (0.44) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL10878397 0.85 POLB (0.57) NPC1RAB9AMAPTALDH1A1GSK3B
SCHEMBL9254186 0.80 GSK3B (0.50) MAPTALDH1A1GSK3BKMT2AMEN1
SCHEMBL9258798 0.78 CES2 (0.43) RAB9AMAPTALDH1A1KMT2AMEN1
SCHEMBL11548835 0.76 TRPA1 (0.45) NPC1RAB9AMAPTALDH1A1KMT2A
SCHEMBL2064455 0.76 NPC1 (0.58) NPC1RAB9AMAPTALDH1A1GSK3B
SCHEMBL9316270 0.75 LMNA (0.53) NPC1RAB9AMAPTALDH1A1GSK3B
SCHEMBL9316652 0.74 CA1 (0.51) MAPTALDH1A1GSK3BKMT2AMEN1
SCHEMBL9254905 0.74 NPC1 (0.46) NPC1RAB9AMAPTALDH1A1KMT2A
SCHEMBL11806422 0.74 NPC1 (0.59) NPC1RAB9AMAPTALDH1A1GSK3B

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 3 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-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