SCHEMBL9656357

SCHEMBL9656357

CCCCCCNC(=O)Oc1c(OC)c(OC)c(OC(=O)NCCCCCC)c2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.54
EPHX1 P07099 2/20 0.53
ALDH1A1 P00352 1/20 0.50
HTT P42858 1/20 0.50
NCEH1 Q6PIU2 1/20 0.50

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
SCHEMBL9656780 0.94 NCEH1 (0.55) MGLLHTTNCEH1
SCHEMBL9656406 0.88 KDM4E (0.46) EPHX1ALDH1A1NCEH1
SCHEMBL9656370 0.88 MGLL (0.52) MGLLNCEH1
SCHEMBL9656373 0.86 MGLL (0.51) MGLLEPHX1ALDH1A1HTTNCEH1
SCHEMBL9659558 0.86 MGLL (0.56) MGLL
SCHEMBL9656602 0.85 MGLL (0.53) MGLL
SCHEMBL9656588 0.85 ABCB11 (0.56) MGLL
SCHEMBL9659203 0.85 MGLL (0.58) MGLLNCEH1
SCHEMBL9656335 0.85 MGLL (0.58) MGLLNCEH1
SCHEMBL9657711 0.82 KDM4E (0.49) ALDH1A1NCEH1

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