SCHEMBL9655015

SCHEMBL9655015

CNC(=O)Oc1cc(OC)c(OC(=O)NC)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
PGR P06401 1/20 0.53
GAA P10253 1/20 0.53
PTGS1 P23219 1/20 0.53
MAPK1 P28482 1/20 0.53
HSD17B10 Q99714 1/20 0.53
PLK1 P53350 1/20 0.48
ACHE P22303 1/20 0.45
HTT P42858 1/20 0.44
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
IDO1 P14902 1/20 0.39
ATM Q13315 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CDC25B P30305 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL9657987 0.95 ALDH1A1 (0.50) ALDH1A1PGRGAAPTGS1MAPK1
SCHEMBL9660610 0.94 ALDH1A1 (0.53) ALDH1A1PGRGAAPTGS1MAPK1
SCHEMBL9660583 0.88 ALDH1A1 (0.47) ALDH1A1PGRGAAPTGS1MAPK1
SCHEMBL9660373 0.88 HSD17B10 (0.43) ALDH1A1PGRGAAPTGS1MAPK1
SCHEMBL9659895 0.85 SLC2A1 (0.42) ALDH1A1PGRGAAPTGS1MAPK1
SCHEMBL9659126 0.85 ALDH1A1 (0.45) ALDH1A1PGRGAAPTGS1MAPK1
SCHEMBL9660331 0.85 TTR (0.45) ALDH1A1PGRGAAPTGS1MAPK1
SCHEMBL9659017 0.85 ALDH1A1 (0.43) ALDH1A1PGRGAAPTGS1MAPK1
SCHEMBL9659170 0.85 HSD17B10 (0.43) ALDH1A1PGRGAAPTGS1MAPK1
SCHEMBL9658069 0.84 NCEH1 (0.51) ALDH1A1GAAPLK1HTTKMT2A

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
US-4786652-A TOPICAL ADMINISTRATION SYNTEX (U.S.A.) INC. (US) 1988-11-22 US claimed
EP-0282006-A1 Naphtalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-09-14 EP claimed
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