SCHEMBL9658010

SCHEMBL9658010

CCCNC(=O)Oc1cc(OCC)c(OCC)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.48
NCEH1 Q6PIU2 1/20 0.44
HCRTR1 O43613 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CES2 O00748 1/20 0.40
TSHR P16473 1/20 0.40
EPHX1 P07099 1/20 0.39

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
SCHEMBL9656605 0.95 NCEH1 (0.44) SLC2A1NCEH1HCRTR1CES2EPHX1
SCHEMBL9660540 0.93 NCEH1 (0.54) SLC2A1NCEH1HCRTR1TSHR
SCHEMBL9660646 0.91 SLC2A1 (0.45) SLC2A1NCEH1HCRTR1MEN1KMT2A
SCHEMBL9659318 0.90 SLC2A1 (0.53) SLC2A1NCEH1
SCHEMBL9659424 0.90 SLC2A1 (0.47) SLC2A1HCRTR1MEN1KMT2ATSHR
SCHEMBL9658031 0.88 NCEH1 (0.54) SLC2A1NCEH1HCRTR1TSHR
SCHEMBL9659401 0.86 POLB (0.50) SLC2A1NCEH1
SCHEMBL9656336 0.86 NCEH1 (0.44) SLC2A1NCEH1MEN1KMT2AEPHX1
SCHEMBL9654590 0.85 NCEH1 (0.49) SLC2A1NCEH1
SCHEMBL9658058 0.85 ALDH1A1 (0.49) SLC2A1KMT2ATSHR

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-5155132-A Nonsteroidal antiinflammatory agents; treating psoriasis SYNTEX (U.S.A.) INC. (US) 1992-10-13 US disclosed
EP-0282006-A1 Naphtalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-09-14 EP disclosed
US-4758587-A Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-07-19 US disclosed