SCHEMBL9710081

SCHEMBL9710081

CC(O)C(=O)OCC(=O)Oc1ccccc1.O=C(CBr)Oc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.41
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP19A1 P11511 1/20 0.38
GAA P10253 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
LMNA P02545 1/20 0.37
ALDH1A1 P00352 4/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ESR1 P03372 1/20 0.36
HIF1A Q16665 1/20 0.36
MAPT P10636 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL9303074 0.92 ELANE (0.46) ELANEATML3MBTL1CYP19A1GAA
SCHEMBL9303071 0.92 ELANE (0.46) ELANEATML3MBTL1CYP19A1GAA
SCHEMBL28238266 0.81 ELANE (0.51) ELANEATML3MBTL1CYP19A1GAA
SCHEMBL142256 0.80 CYP19A1 (0.52) ELANEATML3MBTL1CYP19A1PRSS1
Hydrochloric Acid SCHEMBL11284785 0.79 CYP19A1 (0.50) ELANEATML3MBTL1CYP19A1PRSS1
SCHEMBL28327575 0.78 PRSS1 (0.43) ELANEATML3MBTL1CYP19A1GAA
SCHEMBL9305068 0.75 ALDH1A1 (0.50) ATML3MBTL1CYP19A1PRSS1PRSS2
SCHEMBL9305059 0.75 ALDH1A1 (0.50) ATML3MBTL1CYP19A1PRSS1PRSS2
SCHEMBL3740302 0.75 ELANE (0.55) ELANEATML3MBTL1GAALMNA
SCHEMBL197674 0.75 ELANE (0.55) ELANEATML3MBTL1GAALMNA

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
WO-1992015547-A1 ESTERS OF UNSYMMETRICALLY 2-SUBSTITUTED GLYCOLIC ACID DIMERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-09-17 WO disclosed