SCHEMBL8040554

SCHEMBL8040554

O=C(O)OCC(COC(=O)O)(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.44
MAPK1 P28482 1/20 0.44
KCNN4 O15554 1/20 0.41
CYP2C19 P33261 1/20 0.41
CYP1A2 P05177 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 4/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CES1 P23141 1/20 0.37
CHRM2 P08172 3/20 0.37
CHRM1 P11229 3/20 0.37
CHRM3 P20309 3/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL10780734 0.83 ALDH1A1 (0.52) HIF1AMAPK1KCNN4CYP2C19CYP1A2
SCHEMBL5846764 0.83 HIF1A (0.44) HIF1AMAPK1KCNN4CYP2C19CYP1A2
SCHEMBL8034194 0.81 HIF1A (0.59) HIF1AMAPK1KCNN4CYP2C19CYP1A2
SCHEMBL11543298 0.80 HIF1A (0.39) HIF1AMAPK1KCNN4CYP2C19CYP1A2
SCHEMBL1325146 0.78 HIF1A (0.41) HIF1AMAPK1KCNN4CYP2C19CYP1A2
SCHEMBL8850502 0.77 ELANE (0.41) HIF1AMAPK1KCNN4CYP2C19TDP1
SCHEMBL15899461 0.75 CES1 (0.43) HIF1AMAPK1KCNN4CYP2C19TDP1
SCHEMBL10664452 0.75 KIF11 (0.50) HIF1AMAPK1MAPTALDH1A1CHRM2
SCHEMBL238594 0.73 THRB (0.45) HIF1AMAPK1KCNN4CYP2C19KMT2A
SCHEMBL979085 0.72 ALDH1A1 (0.41) HIF1AMAPK1KCNN4CYP2C19CYP1A2

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
US-6093792-A COMPRISING FIRST COMONOMER UNITS DERIVED FROM LACTONES, LACTAMS, THIOLACTONES, OR NONFUNCTIONALIZED CYCLIC CARBONATES, AND SECOND COMONOMER UNITS DERIVED FROM FUNCTIONALIZED CYCLIC CARBONATES; MEDICAL USE UNIVERSITY OF MASSACHUSETTS (US) 2000-07-25 US disclosed