SCHEMBL13612559

SCHEMBL13612559

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

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
KMT2A Q03164 8/20 0.55
EGFR P00533 1/20 0.55
ERBB2 P04626 1/20 0.55
PRSS1 P07477 1/20 0.53
PRSS2 P07478 1/20 0.53
PRSS3 P35030 1/20 0.53
LMNA P02545 3/20 0.52
HSD17B10 Q99714 3/20 0.52
MAPT P10636 1/20 0.52
HTT P42858 1/20 0.52
MEN1 O00255 2/20 0.51
GAA P10253 1/20 0.50
TDP1 Q9NUW8 1/20 0.48
ELANE P08246 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
SCHEMBL13612565 0.95 PRSS1 (0.59) ALDH1A1KMT2AEGFRERBB2PRSS1
SCHEMBL206680 0.93 KMT2A (0.62) ALDH1A1KMT2AEGFRERBB2LMNA
SCHEMBL11579542 0.89 L3MBTL1 (0.56) ALDH1A1KMT2ALMNAHSD17B10MAPT
SCHEMBL5696793 0.89 KMT2A (0.62) ALDH1A1KMT2APRSS1PRSS2PRSS3
SCHEMBL44568 0.89 PRSS1 (0.62) ALDH1A1KMT2AEGFRERBB2PRSS1
SCHEMBL28718853 0.88 LMNA (0.57) ALDH1A1KMT2AEGFRERBB2LMNA
SCHEMBL11579111 0.87 KMT2A (0.57) ALDH1A1KMT2AEGFRERBB2LMNA
SCHEMBL11320239 0.87 KMT2A (0.60) ALDH1A1KMT2APRSS1PRSS2PRSS3
SCHEMBL20563199 0.87 KMT2A (0.60) ALDH1A1KMT2APRSS1PRSS2PRSS3
SCHEMBL18381074 0.87 KMT2A (0.60) ALDH1A1KMT2APRSS1PRSS2PRSS3

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 2 patents. 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
US-20080134938-A1 Surface Treatment Method Employing Discotic Compound, (Lubricant) Composition to Be Used Surface Treatments, and Surface-Treated Articles FUJIFILM CORPORATION (JP) 2008-06-12 US disclosed