SCHEMBL8507635

SCHEMBL8507635

CCCCCCCCCCCCCCCCCCNC(=O)NCCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.68
EPHX1 P07099 9/20 0.65
ALDH1A1 P00352 1/20 0.65
HTT P42858 1/20 0.65
SIGMAR1 Q99720 1/20 0.60
EPHX2 P34913 2/20 0.59
NAAA Q02083 1/20 0.59
NPC1 O15118 1/20 0.58
MAPT P10636 1/20 0.58
RAB9A P51151 1/20 0.58
MEN1 O00255 1/20 0.55
TSHR P16473 1/20 0.55
KMT2A Q03164 1/20 0.55

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
SCHEMBL24095812 0.92 HPGD (0.66) HPGDEPHX1ALDH1A1HTTSIGMAR1
SCHEMBL24095847 0.91 SIGMAR1 (0.67) HPGDEPHX1ALDH1A1HTTSIGMAR1
SCHEMBL24095827 0.89 HPGD (0.56) HPGDEPHX1ALDH1A1HTTSIGMAR1
SCHEMBL3403502 0.87 EPHX2 (0.69) HPGDEPHX1ALDH1A1HTTEPHX2
SCHEMBL3420583 0.87 EPHX2 (0.69) HPGDEPHX1ALDH1A1HTTEPHX2
SCHEMBL11260446 0.87 EPHX2 (0.69) HPGDEPHX1ALDH1A1HTTEPHX2
SCHEMBL11035774 0.87 EPHX2 (0.69) HPGDEPHX1ALDH1A1HTTEPHX2
SCHEMBL7198058 0.86 EPHX1 (0.59) EPHX1ALDH1A1HTTNAAAMAPT
SCHEMBL7196486 0.86 EPHX1 (0.59) EPHX1ALDH1A1HTTNAAAMAPT
SCHEMBL4985255 0.85 EPHX2 (0.71) HPGDEPHX1ALDH1A1HTTEPHX2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11349553-A None JP disclosed
JP-H11349553-A NEW ESTER COMPOUND WITH UREA BOND RICOH CO LTD 1999-12-21 JP disclosed