SCHEMBL8034200

SCHEMBL8034200

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.47
KCNN4 O15554 1/20 0.47
CYP2C19 P33261 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
CES1 P23141 1/20 0.43
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSH P09668 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
ALDH1A1 P00352 2/20 0.42

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
SCHEMBL11266149 0.92 HIF1A (0.44) HIF1AKCNN4CYP2C19TAAR1GRIN2D
SCHEMBL111213 0.86 ALDH1A1 (0.50) HIF1AKCNN4CYP2C19TAAR1GRIN2D
SCHEMBL11268748 0.85 ALDH1A1 (0.48) HIF1AKCNN4CYP2C19TAAR1GRIN2D
SCHEMBL4590400 0.85 MAPT (0.50) HIF1AKCNN4CYP2C19TAAR1GRIN2D
SCHEMBL5232906 0.84 HIF1A (0.47) HIF1AKCNN4CYP2C19MAPTKMT2A
SCHEMBL24633608 0.83 HIF1A (0.43) HIF1AKCNN4CYP2C19TAAR1GRIN2D
SCHEMBL18342544 0.83 KCNN4 (0.43) HIF1AKCNN4CYP2C19TAAR1GRIN2D
SCHEMBL29109650 0.83 GRIN2D (0.54) HIF1AKCNN4CYP2C19TAAR1GRIN2D
Hydrochloric Acid SCHEMBL3679217 0.83 ALDH1A1 (0.47) HIF1AKCNN4CYP2C19TAAR1GRIN2D
SCHEMBL19820877 0.80 GRIN2D (0.41) HIF1AKCNN4CYP2C19TAAR1GRIN2D

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