SCHEMBL11080831

SCHEMBL11080831

CCCCNC(=O)Cc1cc[nH]c(=O)c1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MTNR1A P48039 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTT P42858 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RECQL P46063 1/20 0.41
EPHX2 P34913 1/20 0.41
MTNR1B P49286 1/20 0.41
GAA P10253 1/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL11068271 0.93 POLB (0.44) HPGDALDH1A1POLBKDM4EMTNR1A
SCHEMBL8092632 0.89 BRD4 (0.47) HPGDALDH1A1POLBKDM4EL3MBTL1
SCHEMBL10963748 0.80 POLB (0.50) HPGDALDH1A1POLBL3MBTL1USP2
SCHEMBL10964174 0.73 PTGER4 (0.55) POLBL3MBTL1
SCHEMBL2036620 0.72 HPGD (0.73) HPGDALDH1A1POLBGAA
SCHEMBL8613427 0.71 POLB (0.41) HPGDALDH1A1POLBHTTL3MBTL1
SCHEMBL18665382 0.69 TSHR (0.57) HPGDALDH1A1HTTTDP1L3MBTL1
SCHEMBL10591282 0.69 POLB (0.52) HPGDALDH1A1POLBL3MBTL1USP2
SCHEMBL1516136 0.68 HPGD (0.71) HPGDALDH1A1GAA
SCHEMBL11075684 0.68 KDM4E (0.49) HPGDALDH1A1POLBKDM4ENPSR1

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-0120669-A2 Hydroxypyridones, and their pharmaceutical compositions NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1984-10-03 EP disclosed