SCHEMBL9656780

SCHEMBL9656780

CCCCNC(=O)Oc1c(OC)c(OC)c(OC(=O)NCCCC)c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 1/20 0.55
MGLL Q99685 3/20 0.48
TSHR P16473 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
SCHEMBL9656357 0.94 MGLL (0.54) NCEH1MGLLHTT
SCHEMBL9656406 0.91 KDM4E (0.46) NCEH1
SCHEMBL9658423 0.87 NCEH1 (0.54) NCEH1MGLLTSHRHTT
SCHEMBL9658242 0.86 NCEH1 (0.53) NCEH1MGLLTSHRHTT
SCHEMBL9660367 0.85 NCEH1 (0.53) NCEH1MGLL
SCHEMBL9656418 0.85 NCEH1 (0.52) NCEH1MGLL
SCHEMBL9657711 0.84 KDM4E (0.49) NCEH1
SCHEMBL9657637 0.84 NCEH1 (0.55) NCEH1MGLL
SCHEMBL9659913 0.84 NCEH1 (0.55) NCEH1MGLL
SCHEMBL9656416 0.84 ABCB11 (0.59)

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