SCHEMBL9656335

SCHEMBL9656335

CCCCCCNC(=O)Oc1cc(OC)c(OC(=O)NCCCCCC)c2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.58
NCEH1 Q6PIU2 1/20 0.50
CTSD P07339 1/20 0.48

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
SCHEMBL9659558 0.96 MGLL (0.56) MGLLCTSD
SCHEMBL9659203 0.95 MGLL (0.58) MGLLNCEH1CTSD
SCHEMBL9657637 0.95 NCEH1 (0.55) MGLLNCEH1
SCHEMBL9660367 0.91 NCEH1 (0.53) MGLLNCEH1CTSD
SCHEMBL9659913 0.90 NCEH1 (0.55) MGLLNCEH1CTSD
SCHEMBL9654921 0.90 NCEH1 (0.45) MGLLNCEH1
SCHEMBL9656380 0.89 NCEH1 (0.49) MGLLNCEH1
SCHEMBL9654590 0.89 NCEH1 (0.49) MGLLNCEH1
SCHEMBL9657132 0.88 NCEH1 (0.48) MGLLNCEH1
SCHEMBL9656447 0.87 NCEH1 (0.47) NCEH1

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