SCHEMBL9463576

SCHEMBL9463576

CC(C)C(=O)CC(CC(=O)C(C)C)OCn1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.72
MEN1 O00255 2/20 0.72
KMT2A Q03164 2/20 0.72
ALDH1A1 P00352 1/20 0.72
LMNA P02545 1/20 0.72
CYP3A4 P08684 1/20 0.72
NFKB1 P19838 1/20 0.72
VCP P55072 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.72
HIF1A Q16665 1/20 0.72
PDE3A Q14432 1/20 0.65
PNP P00491 7/20 0.58
HBB P68871 2/20 0.58
USP2 O75604 1/20 0.58
TSHR P16473 1/20 0.58
EDNRA P25101 1/20 0.58
HTR2A P28223 1/20 0.58
RECQL P46063 1/20 0.58
HSD17B10 Q99714 1/20 0.58
MAPK1 P28482 1/20 0.57

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
SCHEMBL9465137 0.87 BLM (0.72) BLMMEN1KMT2AALDH1A1LMNA
SCHEMBL9585855 0.86 PDE3A (0.75) BLMMEN1KMT2AALDH1A1LMNA
SCHEMBL9463803 0.85 BLM (0.69) BLMMEN1KMT2AALDH1A1LMNA
SCHEMBL9464100 0.85 BLM (0.66) BLMMEN1KMT2AALDH1A1LMNA
Ganciclovir SCHEMBL27842151 0.84 BLM (0.95) BLMMEN1KMT2AALDH1A1LMNA
Ganciclovir SCHEMBL2160505 0.84 BLM (1.00) BLMMEN1KMT2AALDH1A1LMNA
Ganciclovir SCHEMBL3033 0.84 BLM (1.00) BLMMEN1KMT2AALDH1A1LMNA
SCHEMBL9463487 0.84 BLM (0.64) BLMMEN1KMT2AALDH1A1LMNA
SCHEMBL9464182 0.84 BLM (0.64) BLMMEN1KMT2AALDH1A1LMNA
SCHEMBL9463594 0.84 BLM (0.64) BLMMEN1KMT2AALDH1A1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5225590-A Alkoxy methyl ether and alkoxy methyl ester derivatives SYNTEX (U.S.A.) INC. (US) 1993-07-06 US disclosed
EP-0187297-B1 ALKOXY METHYL ETHER AND ALKOXY METHYL ESTER DERIVATIVES SYNTEX (U.S.A.) INC. (US) 1991-08-21 EP disclosed
EP-0187297-A2 Alkoxy methyl ether and alkoxy methyl ester derivatives SYNTEX (U.S.A.) INC. (US) 1986-07-16 EP disclosed