SCHEMBL8704239

SCHEMBL8704239

O=C(O)CCc1nc2cccc(O)n2c1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAPT P10636 1/20 0.36
KDM4E B2RXH2 6/20 0.35
ALDH1A1 P00352 6/20 0.35
HPGD P15428 2/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 1/20 0.35
KEAP1 Q14145 1/20 0.35
HTT P42858 2/20 0.33
PKM P14618 1/20 0.33
FFAR1 O14842 1/20 0.33
GPR17 Q13304 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRM1 P11229 1/20 0.33

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
SCHEMBL9753967 0.65 PTGS1 (0.33) L3MBTL1MAPTKDM4EALDH1A1HPGD
SCHEMBL6783633 0.61 KEAP1 (0.52) HDAC6L3MBTL1KDM4EHPGDLMNA
SCHEMBL15670597 0.61 KDM4E (0.53) MAPTKDM4EALDH1A1HSD17B10HTT
SCHEMBL8825555 0.61 P4HTM (0.49) HDAC6L3MBTL1KDM4EALDH1A1HPGD
SCHEMBL7650615 0.61 HDAC6 (0.62) HDAC6L3MBTL1MAPTKDM4EALDH1A1
SCHEMBL7829888 0.60 HTT (0.53) KDM4EALDH1A1HPGDTP53POLB
SCHEMBL8377547 0.59 KMT2A (0.44) KDM4EALDH1A1TP53HSD17B10HTT
SCHEMBL14639439 0.59 KDM4E (0.59) HDAC6L3MBTL1KDM4EALDH1A1HSD17B10
SCHEMBL4012673 0.58 KEAP1 (0.52) HDAC6KDM4EALDH1A1KEAP1FFAR1
SCHEMBL7450221 0.56 HDAC6 (0.65) HDAC6L3MBTL1MAPTKDM4EALDH1A1

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-5721223-A ANTIISCHEMIC AGENTS, ANALGESICS HANSEN JR DONALD W (US) 1998-02-24 US disclosed
US-5464843-A ANTICONVULSANTS, ANALGESICS G.D. SEARLE & CO. (US) 1995-11-07 US disclosed