SCHEMBL10012774

SCHEMBL10012774

CC1Cc2c3c(c4ccccc4c21)C(=O)OC3=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 1/20 0.35
RIPK1 Q13546 1/20 0.35
ACHE P22303 6/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
HPGD P15428 2/20 0.33
CES1 P23141 2/20 0.33
TP53 P04637 2/20 0.33
CES2 O00748 1/20 0.33
KDM1A O60341 1/20 0.33
PTPN6 P29350 1/20 0.33
PTPN11 Q06124 1/20 0.33
ELAVL1 Q15717 1/20 0.33
HIF1A Q16665 1/20 0.33
EPAS1 Q99814 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL21388355 0.74 MAPK10 (0.36) MAPK10RIPK1ACHEMEN1KMT2A
SCHEMBL4596141 0.73 ALDH1A1 (0.40) MEN1KMT2AHPGDTP53KDM4E
SCHEMBL1857725 0.72 MAPK10 (0.35) MAPK10RIPK1ACHEMEN1KMT2A
SCHEMBL6392102 0.71 ALOX15 (0.48) MEN1KMT2ATDP1HPGDTP53
SCHEMBL10012405 0.71 HSD17B10 (0.41) MEN1KMT2ATDP1HPGDKDM4E
SCHEMBL503033 0.65 TSHR (0.58) TDP1HPGDKDM4EALDH1A1CYP3A4
SCHEMBL4788432 0.64 ACHE (0.41) MAPK10RIPK1ACHEMEN1KMT2A
SCHEMBL13893550 0.61 SIRT2 (0.56) MEN1KMT2AHPGDKDM4EALDH1A1
SCHEMBL13415489 0.61 ALOX15 (0.42) MEN1KMT2ATDP1HPGDHIF1A
SCHEMBL10771120 0.61 ALDH1A1 (0.58) KMT2ATDP1HPGDTP53HIF1A

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
US-20120171402-A1 PROCESS FOR THE COATING OF METALLIC COMPONENTS WITH AN AQUEOUS ORGANIC COMPOSITION SMITH NOEL (US) 2012-07-05 US claimed