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SCHEMBL9656373

SCHEMBL9656373

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

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 3/20 0.51
▸ NCEH1 Q6PIU2 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ EPHX1 P07099 1/20 0.48
▸ HTT P42858 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
SCHEMBL9658242 0.95 NCEH1 (0.53) MGLLNCEH1HTT
SCHEMBL9656370 0.91 MGLL (0.52) MGLLNCEH1
SCHEMBL9656286 0.89 EPHX1 (0.43) NCEH1ALDH1A1EPHX1
SCHEMBL9656357 0.86 MGLL (0.54) MGLLNCEH1ALDH1A1EPHX1HTT
SCHEMBL9657132 0.86 NCEH1 (0.48) MGLLNCEH1
SCHEMBL9658423 0.85 NCEH1 (0.54) MGLLNCEH1HTT
SCHEMBL9656602 0.83 MGLL (0.53) MGLL
SCHEMBL9656380 0.82 NCEH1 (0.49) MGLLNCEH1
SCHEMBL9660542 0.81 NCEH1 (0.51) NCEH1ALDH1A1
SCHEMBL9656780 0.81 NCEH1 (0.55) MGLLNCEH1HTT

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