SCHEMBL14723634

SCHEMBL14723634

CNC(=O)CCCCCCC(=O)Oc1ccc(OC)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.55
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 3/20 0.54
LMNA P02545 3/20 0.54
HSD17B10 Q99714 2/20 0.54
HTT P42858 2/20 0.54
MAPT P10636 1/20 0.54
HDAC1 Q13547 7/20 0.52
HDAC8 Q9BY41 7/20 0.52
HDAC3 O15379 5/20 0.52
HDAC2 Q92769 5/20 0.52
HDAC10 Q969S8 5/20 0.52
HDAC6 Q9UBN7 5/20 0.52
HDAC4 P56524 4/20 0.52
HDAC7 Q8WUI4 4/20 0.52
HDAC11 Q96DB2 4/20 0.52
HDAC9 Q9UKV0 4/20 0.52
HDAC5 Q9UQL6 4/20 0.52
MEN1 O00255 1/20 0.50
EGFR P00533 1/20 0.49

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
SCHEMBL18381106 0.88 KMT2A (0.62) L3MBTL1KMT2AALDH1A1LMNAHSD17B10
SCHEMBL13557797 0.88 KMT2A (0.62) L3MBTL1KMT2AALDH1A1LMNAHSD17B10
SCHEMBL13425195 0.88 HDAC1 (0.68) L3MBTL1KMT2AALDH1A1LMNAHSD17B10
SCHEMBL16436962 0.88 KMT2A (0.50) KMT2AALDH1A1LMNAHSD17B10HTT
SCHEMBL13557799 0.87 KMT2A (0.64) L3MBTL1KMT2AALDH1A1LMNAHSD17B10
SCHEMBL13425158 0.86 PRSS1 (0.56) KMT2AALDH1A1LMNAHSD17B10HTT
SCHEMBL13557791 0.85 KMT2A (0.75) L3MBTL1KMT2AALDH1A1LMNAHSD17B10
SCHEMBL14723639 0.85 KMT2A (0.54) L3MBTL1KMT2AALDH1A1LMNAHSD17B10
SCHEMBL16436960 0.83 TOP2A (0.51) L3MBTL1ALDH1A1MAPTCNR1
SCHEMBL14984017 0.83 KMT2A (0.64) L3MBTL1KMT2AALDH1A1LMNAHSD17B10

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-8383855-B2 Histone deacetylase inhibitors PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-02-26 US disclosed