SCHEMBL9660646

SCHEMBL9660646

CCCNC(=O)Oc1c(OCC)cc(OCC)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.45
EPHX1 P07099 1/20 0.43
HCRTR1 O43613 2/20 0.43
NCEH1 Q6PIU2 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PABPC1 P11940 1/20 0.39
ALOX15 P16050 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 0.96 NCEH1 (0.44) SLC2A1EPHX1HCRTR1NCEH1ALDH1A1
SCHEMBL9659092 0.92 NCEH1 (0.52) SLC2A1HCRTR1NCEH1
SCHEMBL9658056 0.91 NCEH1 (0.42) SLC2A1EPHX1NCEH1ALDH1A1MAPT
SCHEMBL9658010 0.91 SLC2A1 (0.48) SLC2A1EPHX1HCRTR1NCEH1MEN1
SCHEMBL9657983 0.90 SLC2A1 (0.50) SLC2A1EPHX1NCEH1ALDH1A1
SCHEMBL9659327 0.89 SLC2A1 (0.44) SLC2A1HCRTR1ALDH1A1MAPTPOLB
SCHEMBL9658031 0.89 NCEH1 (0.54) SLC2A1HCRTR1NCEH1
SCHEMBL9656336 0.87 NCEH1 (0.44) SLC2A1EPHX1NCEH1ALDH1A1MAPT
SCHEMBL9654590 0.87 NCEH1 (0.49) SLC2A1NCEH1
SCHEMBL9657962 0.86 POLB (0.54) SLC2A1NCEH1ALDH1A1MAPTPOLB

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