SCHEMBL9656286

SCHEMBL9656286

CCCNC(=O)Oc1c(OCCC)c(OCCC)c(OC(=O)NCCC)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.43
NCEH1 Q6PIU2 1/20 0.43
MAPT P10636 2/20 0.40
MAOB P27338 1/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PABPC1 P11940 1/20 0.39
ALOX15 P16050 1/20 0.39
MTNR1A P48039 1/20 0.39
FAAH O00519 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HIF1A Q16665 1/20 0.39

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 0.92 NCEH1 (0.53) NCEH1
SCHEMBL9656726 0.90 EPHX1 (0.44) EPHX1NCEH1MAPTMAOBALDH1A1
SCHEMBL9656373 0.89 MGLL (0.51) EPHX1NCEH1ALDH1A1
SCHEMBL9658056 0.85 NCEH1 (0.42) EPHX1NCEH1MAPTALDH1A1NPC1
SCHEMBL9658262 0.85 ALDH1A1 (0.46) MAOBALDH1A1NPC1RAB9A
SCHEMBL9656406 0.85 KDM4E (0.46) EPHX1NCEH1MAOBALDH1A1NPC1
SCHEMBL9656336 0.84 NCEH1 (0.44) EPHX1NCEH1MAPTALDH1A1NPC1
SCHEMBL9654866 0.82 EPHX1 (0.41) EPHX1NCEH1MAPTMAOBALDH1A1
SCHEMBL9658423 0.81 NCEH1 (0.54) NCEH1SMN1; SMN2
SCHEMBL9657252 0.81 FAAH (0.50) MAPTALDH1A1NPC1RAB9ASMN1; SMN2

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