SCHEMBL8114802

SCHEMBL8114802

COc1ccc(N2C[C@](C)(COc3ccc(C#N)cc3)OC2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.42
PTGER2 P43116 1/20 0.42
PTGDR Q13258 1/20 0.42
TRPV4 Q9HBA0 3/20 0.42
GRM2 Q14416 2/20 0.41
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
KCNA5 P22460 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
POLB P06746 2/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAOB P27338 2/20 0.38
MAOA P21397 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL8114798 1.00 PTGER4 (0.42) PTGER4PTGER2PTGDRTRPV4GRM2
SCHEMBL8114803 1.00 PTGER4 (0.42) PTGER4PTGER2PTGDRTRPV4GRM2
SCHEMBL8105507 0.84 ALDH1A1 (0.44) GRM2ALDH1A1MAPTNPSR1USP2
SCHEMBL8105500 0.84 ALDH1A1 (0.44) GRM2ALDH1A1MAPTNPSR1USP2
SCHEMBL8105511 0.84 ALDH1A1 (0.44) GRM2ALDH1A1MAPTNPSR1USP2
SCHEMBL8114711 0.77 GRM2 (0.41) GRM2ALDH1A1MAPTPOLBNPSR1
SCHEMBL8114710 0.77 GRM2 (0.41) GRM2ALDH1A1MAPTPOLBNPSR1
SCHEMBL8114709 0.77 GRM2 (0.41) GRM2ALDH1A1MAPTPOLBNPSR1
SCHEMBL6621375 0.71 ALDH1A1 (0.45) ALDH1A1MAPTMAOB
SCHEMBL6621380 0.71 ALDH1A1 (0.45) ALDH1A1MAPTMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0605729-B1 OXAZOLIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2000-07-26 EP disclosed
US-5521202-A ANTIDIABETIC AGENTS TAIHO PHARMACEUTICAL CO., LTD. (JP) 1996-05-28 US disclosed
US-5480899-A ANTILIPEMIC AGENTS TAIHO PHARMACEUTICAL CO., LTD. (JP) 1996-01-02 US disclosed
EP-0645387-A1 THIAZOLIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME TAIHO PHARMACEUTICAL CO., LTD. (JP) 1995-03-29 EP disclosed
EP-0605729-A1 OXAZOLIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 1994-07-13 EP disclosed