SCHEMBL13612565

SCHEMBL13612565

Cc1ccc(OC(=O)CCCCCCCCC(=O)Oc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.59
PRSS2 P07478 1/20 0.59
PRSS3 P35030 1/20 0.59
ALDH1A1 P00352 3/20 0.56
KMT2A Q03164 9/20 0.54
LMNA P02545 3/20 0.50
HSD17B10 Q99714 3/20 0.50
MEN1 O00255 2/20 0.50
EGFR P00533 1/20 0.50
ERBB2 P04626 1/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL13612559 0.95 ALDH1A1 (0.57) PRSS1PRSS2PRSS3ALDH1A1KMT2A
SCHEMBL6937018 0.93 KMT2A (0.60) PRSS1PRSS2PRSS3ALDH1A1KMT2A
SCHEMBL18381074 0.93 KMT2A (0.60) PRSS1PRSS2PRSS3ALDH1A1KMT2A
SCHEMBL11320239 0.93 KMT2A (0.60) PRSS1PRSS2PRSS3ALDH1A1KMT2A
SCHEMBL20563199 0.93 KMT2A (0.60) PRSS1PRSS2PRSS3ALDH1A1KMT2A
SCHEMBL13559936 0.93 KMT2A (0.60) PRSS1PRSS2PRSS3ALDH1A1KMT2A
SCHEMBL5696793 0.91 KMT2A (0.62) PRSS1PRSS2PRSS3ALDH1A1KMT2A
SCHEMBL27541482 0.90 L3MBTL1 (0.54) PRSS1PRSS2PRSS3ALDH1A1KMT2A
SCHEMBL11593112 0.90 L3MBTL1 (0.54) PRSS1PRSS2PRSS3ALDH1A1KMT2A
SCHEMBL25297232 0.89 PRSS1 (0.70) PRSS1PRSS2PRSS3ALDH1A1KMT2A

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-7622432-B2 Lubricant composition and triazine-ring-containing compound FUJIFILM CORPORATION (JP) 2009-11-24 US disclosed