SCHEMBL9201357

SCHEMBL9201357

[O]CCCSc1ccc(O)cc1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.36
TSHR P16473 2/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX5 P09917 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CA2 P00918 6/20 0.36
GFER P55789 2/20 0.35
CES2 O00748 1/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL9140935 0.84 TYR (0.44) TYRTSHRHTTMEN1TP53
SCHEMBL9201363 0.83 CA2 (0.46) TYRTSHRHTTMEN1TP53
SCHEMBL9141201 0.83 HTT (0.40) TYRTSHRHTTMEN1TP53
SCHEMBL9006695 0.81 TYR (0.51) TYRTSHRHTTMEN1TP53
SCHEMBL9006579 0.77 TYR (0.46) TYRTSHRHTTMEN1TP53
SCHEMBL9808101 0.75 EPHX2 (0.40) HTTMEN1MAPTKMT2ATDP1
SCHEMBL14003948 0.75 NAAA (0.36) TYRTSHRHTTMEN1TP53
SCHEMBL29524489 0.73 TYR (0.44) TYRTSHRHTTMEN1TP53
SCHEMBL562184 0.73 TYR (0.44) TYRTSHRHTTMEN1TP53
SCHEMBL9006448 0.72 TYR (0.44) TYRTSHRHTTMEN1TP53

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
EP-0382213-B1 Biphenyl derivative, nerve cell degeneration repairing or protecting agent and process for preparing a phenyl derivative contained in the agent OTSUKA PHARMA CO LTD (JP) 1995-05-10 EP disclosed
US-5053548-A Containing hydroxy substituents; nervous system disorders OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1991-10-01 US disclosed
EP-0382213-A2 Biphenyl derivative, nerve cell degeneration repairing or protecting agent and process for preparing a phenyl derivative contained in the agent OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP disclosed