SCHEMBL9656398

SCHEMBL9656398

CCOc1cc(O)c2cc(C(C)C)ccc2c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RNASEH1 O60930 1/20 0.39
TRPA1 O75762 1/20 0.39
PTGS1 P23219 1/20 0.39
CACNA1C Q13936 1/20 0.39
ACHE P22303 4/20 0.38
BCHE P06276 3/20 0.38
ALDH1A1 P00352 4/20 0.38
GAA P10253 2/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 1/20 0.38
HIF1A Q16665 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
KMT2A Q03164 2/20 0.36
TSHR P16473 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 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
SCHEMBL9657742 0.83 ERN1 (0.44) RNASEH1TRPA1PTGS1CACNA1CALDH1A1
SCHEMBL9654846 0.80 CSNK2A2 (0.43) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL9657787 0.78 HPGD (0.44) MAPTALDH1A1GAAHTTSMN1; SMN2
SCHEMBL9657182 0.78 TSHR (0.44) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL9656717 0.78 PPM1A (0.40) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL9657859 0.77 LMNA (0.50) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL4858393 0.77 TRPA1 (0.50) MAPTMAPK1TDP1L3MBTL1RNASEH1
SCHEMBL10149066 0.77 ALDH1A1 (0.54) MAPTMAPK1TDP1L3MBTL1RNASEH1
SCHEMBL29700360 0.77 LMNA (0.50) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL9627506 0.76 TYR (0.37) MAPTMAPK1TDP1L3MBTL1ACHE

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-5134161-A Enzyme inhibitors for skin disorders, antiinflammatory agents SYNTEX (U.S.A.) INC. (US) 1992-07-28 US disclosed
US-4786652-A TOPICAL ADMINISTRATION SYNTEX (U.S.A.) INC. (US) 1988-11-22 US disclosed
EP-0282006-A1 Naphtalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-09-14 EP disclosed