SCHEMBL6742596

SCHEMBL6742596

CCCCCCC1C(=O)CCCC1=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.46
CYP1A2 P05177 3/20 0.46
ALDH1A1 P00352 4/20 0.43
HPGD P15428 2/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
HLCS P50747 2/20 0.40
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 1/20 0.37
EPHX1 P07099 1/20 0.36
ALOX5 P09917 2/20 0.36

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
SCHEMBL8076491 0.98 TP53 (0.47) TP53CYP1A2ALDH1A1HPGDALOX15
SCHEMBL10959669 0.94 CYP1A2 (0.44) TP53CYP1A2ALDH1A1HPGDALOX15
SCHEMBL7167062 0.94 CYP1A2 (0.44) TP53CYP1A2ALDH1A1HPGDALOX15
SCHEMBL11861937 0.91 CYP1A2 (0.48) TP53CYP1A2ALDH1A1HPGDALOX15
SCHEMBL10704088 0.91 CYP1A2 (0.48) TP53CYP1A2ALDH1A1HPGDALOX15
SCHEMBL1036088 0.89 CYP1A2 (0.46) TP53CYP1A2ALDH1A1HPGDALOX15
SCHEMBL5259007 0.82 TP53 (0.47) TP53CYP1A2ALDH1A1HPGDL3MBTL1
SCHEMBL8393094 0.82 TP53 (0.39) TP53CYP1A2ALDH1A1L3MBTL1MAPT
SCHEMBL28102875 0.82 TP53 (0.40) TP53CYP1A2ALDH1A1HPGDALOX15
SCHEMBL28050847 0.82 TP53 (0.40) TP53CYP1A2ALDH1A1HPGDALOX15

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
JP-2015058-A None JP disclosed
JP-2004137228-A METHOD FOR PRODUCING 2-SUBSTITUTED-4-OXO-4, 5, 6, 7-TETRAHYDROINDOLE COMPOUND NIPPON ZEON CO LTD 2004-05-13 JP disclosed
JP-H0215058-A PRODUCTION OF 2-SUBSTITUTED-4-OXOTETRAHYDROINDOLES NIPPON ZEON CO LTD 1990-01-18 JP disclosed