SCHEMBL9656336

SCHEMBL9656336

CCCNC(=O)Oc1cc(OCCC)c(OC(=O)NCCC)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 1/20 0.44
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
MTNR1A P48039 1/20 0.40
FAAH O00519 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HIF1A Q16665 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
EPHX1 P07099 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
SLC2A1 P11166 1/20 0.38

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
SCHEMBL9658056 0.96 NCEH1 (0.42) NCEH1CNR1CNR2MTNR1AFAAH
SCHEMBL9656968 0.93 NCEH1 (0.53) NCEH1FAAHMEN1KMT2AHIF1A
SCHEMBL9656605 0.91 NCEH1 (0.44) NCEH1EPHX1ALDH1A1MAPTSLC2A1
SCHEMBL9657132 0.91 NCEH1 (0.48) NCEH1
SCHEMBL9660542 0.89 NCEH1 (0.51) NCEH1MEN1KMT2AHIF1AALDH1A1
SCHEMBL9659110 0.88 NCEH1 (0.53) NCEH1FAAHMEN1KMT2AHIF1A
SCHEMBL9660646 0.87 SLC2A1 (0.45) NCEH1MEN1KMT2AEPHX1ALDH1A1
SCHEMBL9654921 0.87 NCEH1 (0.45) NCEH1CNR1FAAHNPC1RAB9A
SCHEMBL9656380 0.87 NCEH1 (0.49) NCEH1
SCHEMBL9658010 0.86 SLC2A1 (0.48) NCEH1MEN1KMT2AEPHX1SLC2A1

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