SCHEMBL8558152

SCHEMBL8558152

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

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NTRK2 Q16620 1/20 0.37
MMP13 P45452 1/20 0.33
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30

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
SCHEMBL8557298 0.91
SCHEMBL8554956 0.91 MMP13 (0.38) MMP13POLBHPGDHTTCA12
SCHEMBL9791860 0.83 KDM4E (0.38) HPGD
SCHEMBL9791990 0.83 MLYCD (0.38) HPGD
SCHEMBL8556512 0.83 CNR2 (0.34) HPGD
SCHEMBL9791989 0.81 ALDH1A1 (0.36) HPGD
SCHEMBL9792091 0.81 OPRD1 (0.35) HPGDCA12CA9
SCHEMBL9791862 0.80 KDM4E (0.35) HPGD
SCHEMBL9841193 0.80 L3MBTL1 (0.46) POLBCA2
SCHEMBL9791995 0.80 KDM4E (0.35) HPGD

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