SCHEMBL9657983

SCHEMBL9657983

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

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.50
NCEH1 Q6PIU2 1/20 0.47
EPHX1 P07099 2/20 0.47
MGLL Q99685 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL9654590 0.96 NCEH1 (0.49) SLC2A1NCEH1MGLL
SCHEMBL9659092 0.95 NCEH1 (0.52) SLC2A1NCEH1
SCHEMBL9659318 0.92 SLC2A1 (0.53) SLC2A1NCEH1MGLL
SCHEMBL9658031 0.92 NCEH1 (0.54) SLC2A1NCEH1
SCHEMBL9660646 0.90 SLC2A1 (0.45) SLC2A1NCEH1EPHX1ALDH1A1
SCHEMBL9656380 0.89 NCEH1 (0.49) NCEH1MGLL
SCHEMBL9657132 0.88 NCEH1 (0.48) NCEH1MGLL
SCHEMBL9660542 0.87 NCEH1 (0.51) SLC2A1NCEH1ALDH1A1
SCHEMBL9660540 0.87 NCEH1 (0.54) SLC2A1NCEH1
SCHEMBL9659558 0.87 MGLL (0.56) MGLL

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