SCHEMBL28031917

SCHEMBL28031917

CC(C)NC(C)C.CCc1ccc2oc(C=O)c(-c3ccccc3)c(=O)c2c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 2/20 0.39
▸ MCL1 Q07820 2/20 0.39
▸ TEAD4 Q15561 1/20 0.35
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ POLB P06746 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ AR P10275 2/20 0.33
▸ ABCB1 P08183 2/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ ABCG2 Q9UNQ0 1/20 0.32
▸ KDM4E B2RXH2 5/20 0.32
▸ MAPT P10636 3/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32

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
SCHEMBL28031955 0.86 ELANE (0.36) BCL2MCL1MEN1KMT2AHSP90AA1
SCHEMBL27726508 0.68 MEN1 (0.38) MEN1KMT2AHSP90AA1MAPK1AR
SCHEMBL548670 0.68 PTPN1 (0.39) MEN1KMT2AHSP90AA1POLBHTT
SCHEMBL29793488 0.68 PTPN1 (0.39) MEN1KMT2AHSP90AA1POLBHTT
SCHEMBL548288 0.68 MEN1 (0.39) MEN1KMT2AHSP90AA1POLBGAA
SCHEMBL547866 0.68 CA1 (0.39) MEN1KMT2AHSP90AA1POLBMAPK1
SCHEMBL548149 0.64 MEN1 (0.42) MEN1KMT2AHSP90AA1MAPK1HTT
SCHEMBL547722 0.64 MEN1 (0.42) MEN1KMT2AHSP90AA1POLBMAPK1
SCHEMBL1255490 0.62 MEN1 (0.48) MEN1KMT2AHSP90AA1POLBGAA
SCHEMBL27957739 0.61 GABRA1 (0.48) POLBGAAKDM4EMAPTPKM

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
CN-102827131-B Isoflavones amino formate compounds, Preparation Method And The Use SICHUAN UNIVERSITY (CN) 2015-09-23 — — CN claimed
Send feedback