SCHEMBL8318792

SCHEMBL8318792

CC(C)(C)OC(=O)N1c2cc(/C=C/C(=O)O)ccc2Sc2nccnc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.41
HDAC1 Q13547 2/20 0.36
HPGD P15428 3/20 0.36
LMNA P02545 3/20 0.36
KDM4E B2RXH2 9/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPK1 P28482 3/20 0.35
HSD17B10 Q99714 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALOX15 P16050 1/20 0.35
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA3 P07451 2/20 0.34
CA4 P22748 2/20 0.34
CA6 P23280 2/20 0.34
CA5A P35218 2/20 0.34
CA7 P43166 2/20 0.34
CA9 Q16790 2/20 0.34
CA14 Q9ULX7 2/20 0.34

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
SCHEMBL8318798 1.00 BCHE (0.41) BCHEHDAC1HPGDLMNAKDM4E
SCHEMBL6747218 0.88 TTR (0.42) BCHEHPGDLMNACA12CA1
SCHEMBL6747220 0.82 BCHE (0.38) BCHEHDAC6
SCHEMBL6747666 0.77 KDM4E (0.40) HPGDLMNAKDM4EALDH1A1MAPK1
SCHEMBL6747667 0.77 KDM4E (0.40) HPGDLMNAKDM4EALDH1A1MAPK1
SCHEMBL6745642 0.75 BCHE (0.41) BCHEHPGDLMNAKDM4EALDH1A1
SCHEMBL6747151 0.70 HDAC6 (0.35) HPGDLMNAKDM4EALDH1A1HSD17B10
SCHEMBL6747150 0.70 HDAC6 (0.35) HPGDLMNAKDM4EALDH1A1HSD17B10
SCHEMBL6752015 0.68 HDAC6 (0.37) HDAC1HPGDLMNAKDM4EALDH1A1
SCHEMBL9832954 0.66 BCHE (0.64) BCHEHPGDLMNAKDM4ESMN1; SMN2

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-0934941-A1 BENZOPIPERIDINE DERIVATIVES Eisai Co., Ltd. (JP) 1999-08-11 EP disclosed