SCHEMBL8554956

SCHEMBL8554956

O=C(NCCO)c1ccc(C2C(O)[C@@]3(O)C(c4ccc(C(=O)NCCO)cc4)[C@@](O)([C@H](O)CO)[C@@]23O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.38
POLB P06746 3/20 0.38
HPGD P15428 3/20 0.38
HTT P42858 1/20 0.38
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
SPHK2 Q9NRA0 1/20 0.34
SPHK1 Q9NYA1 1/20 0.34
PDE5A O76074 1/20 0.33
PDE11A Q9HCR9 1/20 0.33
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
MAOB P27338 1/20 0.32
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL9791860 0.91 KDM4E (0.38) HPGDALDH1A1KDM4EKMT2A
SCHEMBL8558152 0.91 NTRK2 (0.37) MMP13POLBHPGDHTTCA12
SCHEMBL9792091 0.89 OPRD1 (0.35) HPGDCA12CA9PDE5AMEN1
SCHEMBL9791862 0.88 KDM4E (0.35) HPGDALDH1A1KDM4EKMT2A
SCHEMBL9791995 0.88 KDM4E (0.35) HPGDALDH1A1KDM4EKMT2A
SCHEMBL9841193 0.88 L3MBTL1 (0.46) POLBCA2ALDH1A1MEN1KMT2A
SCHEMBL9791912 0.88 L3MBTL1 (0.40) MMP13POLBHTTALDH1A1KDM4E
SCHEMBL9796151 0.87 KDM4E (0.37) HPGDALDH1A1KDM4EKMT2A
SCHEMBL9791883 0.87 KDM4E (0.37) HPGDALDH1A1KDM4EKMT2A
SCHEMBL9792001 0.86 NPC1 (0.42) POLBHPGDPDE5AALDH1A1NFKB1

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
EP-0507950-B1 PROCESS FOR PRODUCING DIACETALS NEW JAPAN CHEM CO LTD (JP) 1998-04-08 EP disclosed
EP-0507950-A1 PROCESS FOR PRODUCING DIACETAL NEW JAPAN CHEMICAL CO.,LTD. (JP) 1992-10-14 EP disclosed