SCHEMBL9697296

SCHEMBL9697296

CCCCCCCC(=O)OCc1cnc(C)c(O)c1COC(=O)CCCCCCC.CCCCCCCCCCCCCCOCCCCCCCCCC

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.41
HDAC1 Q13547 2/20 0.40
SGPL1 O95470 2/20 0.39
ELANE P08246 2/20 0.39
CNR2 P34972 6/20 0.39
TDP1 Q9NUW8 1/20 0.38
DNM1 Q05193 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
CNR1 P21554 1/20 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
SCHEMBL2905259 0.94 DGKA (0.43) DGKAHDAC1SGPL1ELANETDP1
SCHEMBL483438 0.94 DGKA (0.43) DGKAHDAC1SGPL1ELANETDP1
SCHEMBL28085869 0.87 KDM4E (0.51) DGKAHDAC1SGPL1ELANECNR2
SCHEMBL516267 0.87 KDM4E (0.51) DGKAHDAC1SGPL1ELANECNR2
SCHEMBL9232006 0.87 KDM4E (0.51) DGKAHDAC1SGPL1ELANECNR2
SCHEMBL5155355 0.80 DGKA (0.41) DGKAELANETDP1DNM1ALDH1A1
SCHEMBL2423289 0.80 NR4A1 (0.43) DGKAELANECNR2TDP1
SCHEMBL7101552 0.74 SGPL1 (0.43) SGPL1MEN1ALDH1A1KMT2A
SCHEMBL668958 0.74 DGKA (0.36) DGKAELANETDP1KMT2A
SCHEMBL11034354 0.73 ALDH1A1 (0.55) SGPL1TDP1MEN1ALDH1A1KMT2A

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-5078750-A HAIR DYEING BY IRIDOID GLYCOSIDES AND AGLYCONS THEREOF TOKIWA KANPO PHARMACEUTICAL CO., LTD. (JP) 1992-01-07 US disclosed