SCHEMBL5031990

SCHEMBL5031990

CCCN(Cc1ccc(CCO)cc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
CYP4F2 P78329 3/20 0.44
CYP4A11 Q02928 3/20 0.44
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.42
LMNA P02545 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
PKM P14618 1/20 0.42
PPARA Q07869 1/20 0.41

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
SCHEMBL4352375 0.82 HDAC1 (0.50) HDAC1HDAC6ALDH1A1HSD17B10POLB
SCHEMBL574486 0.82 LMNA (0.61) HDAC1HDAC6ALDH1A1LMNAPKM
SCHEMBL2882035 0.81 HDAC1 (0.48) HDAC1HDAC6CYP4F2CYP4A11PPARA
SCHEMBL5034528 0.74 KMT2A (0.53) CYP4F2CYP4A11ALDH1A1HPGDTDP1
SCHEMBL5933504 0.73 ALDH1A1 (0.58) HDAC1HDAC6ALDH1A1HPGDPOLB
SCHEMBL11142759 0.73 LMNA (0.64) HDAC1HDAC6ALDH1A1HPGDHSD17B10
SCHEMBL595605 0.72 KMT2A (0.57) HDAC1HDAC6ALDH1A1HPGDHSD17B10
SCHEMBL2310278 0.72 RCE1 (0.54) HDAC1HDAC6TDP1
SCHEMBL7228409 0.72 MEN1 (0.61) HDAC1HDAC6ALDH1A1TDP1LMNA
SCHEMBL766565 0.72 L3MBTL1 (0.58) HDAC1HDAC6ALDH1A1TDP1LMNA

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
EP-1916239-A1 PYRIDONE COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-04-30 EP disclosed