SCHEMBL28050847

SCHEMBL28050847

CCCCCC1C(=O)CCCC1=C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.40
CYP1A2 P05177 3/20 0.36
ALDH1A1 P00352 5/20 0.35
HPGD P15428 2/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
HLCS P50747 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KMT2A Q03164 2/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL7167062 0.84 CYP1A2 (0.44) TP53CYP1A2ALDH1A1HPGDALOX15
SCHEMBL10959669 0.84 CYP1A2 (0.44) TP53CYP1A2ALDH1A1HPGDALOX15
SCHEMBL8076491 0.84 TP53 (0.47) TP53CYP1A2ALDH1A1HPGDALOX15
SCHEMBL6742596 0.82 TP53 (0.46) TP53CYP1A2ALDH1A1HPGDALOX15
SCHEMBL1036088 0.76 CYP1A2 (0.46) TP53CYP1A2ALDH1A1HPGDALOX15
SCHEMBL10704088 0.74 CYP1A2 (0.48) TP53CYP1A2ALDH1A1HPGDALOX15
SCHEMBL11861937 0.74 CYP1A2 (0.48) TP53CYP1A2ALDH1A1HPGDALOX15
SCHEMBL28102875 0.73 TP53 (0.40) TP53CYP1A2ALDH1A1HPGDALOX15
Water SCHEMBL9712332 0.71 TSHR (0.41) TP53CYP1A2ALDH1A1HPGDALOX15
SCHEMBL4740933 0.70 NPC1 (0.47) CYP1A2ALDH1A1HPGDLMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105316024-A X oil recycling method LIANG YI 2016-02-10 CN disclosed