SCHEMBL9196196

SCHEMBL9196196

CC(C)(C)c1cccc([S])c1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 4/20 0.70
▸ GABRA1 P14867 2/20 0.59
▸ GABRB2 P47870 2/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.49
▸ ALOX12 P18054 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ TSHR P16473 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ CA1 P00915 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ TYR P14679 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ ALOX15 P16050 3/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ATP2A2 P16615 1/20 0.37
▸ ATP2A3 Q93084 1/20 0.37
▸ PTGS1 P23219 2/20 0.37
▸ PTGS2 P35354 2/20 0.37

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
SCHEMBL38598 0.83 CA2 (1.00) CA2GABRA1GABRB2NPSR1ALOX12
SCHEMBL29978072 0.80 CA2 (0.94) CA2GABRA1GABRB2NPSR1ALOX12
SCHEMBL28924235 0.80 CA2 (0.94) CA2GABRA1GABRB2NPSR1ALOX12
SCHEMBL28578522 0.80 CA2 (0.94) CA2GABRA1GABRB2NPSR1ALOX12
Hydrochloric Acid SCHEMBL7076174 0.80 CA2 (0.94) CA2GABRA1GABRB2NPSR1ALOX12
Methyl Alcohol SCHEMBL28909622 0.80 CA2 (0.94) CA2GABRA1GABRB2NPSR1ALOX12
SCHEMBL29614734 0.80 CA2 (0.94) CA2GABRA1GABRB2NPSR1ALOX12
SCHEMBL31622310 0.80 CA2 (0.94) CA2GABRA1GABRB2NPSR1ALOX12
SCHEMBL22444875 0.80 CA2 (0.94) CA2GABRA1GABRB2NPSR1ALOX12
SCHEMBL29189109 0.80 CA2 (0.94) CA2GABRA1GABRB2NPSR1ALOX12

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
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