SCHEMBL9254459

SCHEMBL9254459

COP(=O)(CC(=O)[C@H](C)Cc1ccccc1)OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 4/20 0.49
HPGD P15428 1/20 0.45
CYP3A4 P08684 4/20 0.44
TSHR P16473 2/20 0.44
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 2/20 0.43
ALDH1A1 P00352 2/20 0.43
THRB P10828 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 1/20 0.41
SLC15A1 P46059 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GAA P10253 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
SCHEMBL12799484 1.00 LAP3 (0.49) LAP3HPGDCYP3A4TSHRMAPK1
SCHEMBL9254456 1.00 LAP3 (0.49) LAP3HPGDCYP3A4TSHRMAPK1
SCHEMBL16841375 0.86 LAP3 (0.48) LAP3HPGDCYP3A4TSHRMAPK1
SCHEMBL15586998 0.85 TSHR (0.51) HPGDTSHRALDH1A1POLBMEN1
SCHEMBL11515110 0.83 LAP3 (0.48) LAP3RAB9ANPC1LMNAPOLB
SCHEMBL15587151 0.82 GRIK1 (0.43) HPGDTSHRCYP2C9CYP2C19LMNA
SCHEMBL15586983 0.82 GRIK1 (0.43) HPGDTSHRCYP2C9CYP2C19LMNA
SCHEMBL15586934 0.82 GRIK1 (0.43) HPGDTSHRCYP2C9CYP2C19LMNA
SCHEMBL9041162 0.82 LAP3 (0.51) LAP3HPGDCYP3A4TSHRMAPK1
SCHEMBL28115263 0.82 LAP3 (0.51) LAP3HPGDCYP3A4TSHRMAPK1

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