SCHEMBL7919764

SCHEMBL7919764

Nc1nc2c(ncn2COC(CCC(=O)O)COCc2ccccc2)c(=O)[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
ALDH1A1 P00352 1/20 0.59
LMNA P02545 1/20 0.59
CYP3A4 P08684 1/20 0.59
NFKB1 P19838 1/20 0.59
VCP P55072 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
HIF1A Q16665 1/20 0.59
HPRT1 P00492 9/20 0.54
PNP P00491 7/20 0.54
PDE3A Q14432 1/20 0.53
USP2 O75604 1/20 0.51
TSHR P16473 1/20 0.51
EDNRA P25101 1/20 0.51
HTR2A P28223 1/20 0.51
RECQL P46063 1/20 0.51
HBB P68871 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL9651453 0.91 BLM (0.65) BLMMEN1KMT2AALDH1A1LMNA
SCHEMBL6377806 0.89 BLM (0.72) BLMMEN1KMT2AALDH1A1LMNA
SCHEMBL6840470 0.89 BLM (0.72) BLMMEN1KMT2AALDH1A1LMNA
SCHEMBL6835357 0.89 BLM (0.72) BLMMEN1KMT2AALDH1A1LMNA
Hydrochloric Acid SCHEMBL6380553 0.88 BLM (0.71) BLMMEN1KMT2AALDH1A1LMNA
SCHEMBL11018320 0.88 BLM (0.56) BLMMEN1KMT2AALDH1A1LMNA
SCHEMBL6835438 0.87 PNP (0.61) BLMMEN1KMT2AALDH1A1LMNA
SCHEMBL8981399 0.87 PNP (0.61) BLMMEN1KMT2AALDH1A1LMNA
SCHEMBL6839494 0.87 PDE3A (0.59) BLMMEN1KMT2AALDH1A1LMNA
SCHEMBL6839490 0.87 PDE3A (0.59) 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-6218568-B1 REACTING 1-ARALKYLOXY-3-HALO-2-PROPANOL WITH METHOXYMETHYL ALKANOATE IN APROTIC SOLVENT IN THE PRESENCE OF A CATALYST TO PRODUCE 1-ARALKYLOXY-3-HALO-2-(ALKANOYLOXY)METHOXYPROPANE AND TREATING THE PRODUCT WITH ALKALI METAL ALKANOATE SYNTEX (U.S.A.) INC. 2001-04-17 US disclosed
US-6215017-B1 1-ARALKYLOXY-3-ACYLOXY-2-(ACYLOXY)METHOXYPROPANE DERIVATIVE; CHEMICAL INTERMEDIATES FOR VIRICIDE GANCICLOVIR SYNTEX (U.S.A.) INC. 2001-04-10 US disclosed
US-6040446-A Process for preparing a 2-(2-amino-1,6-dihydro-6-oxo-purin-9-yl) methoxy-1,3-propanediol derivative SYNTEX (U.S.A.) INC. (US) 2000-03-21 US disclosed