SCHEMBL8463197

SCHEMBL8463197

CCOP(=O)(CN(CC(C)O)CC(C)O)OCC

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
TSHR P16473 2/20 0.41
PPARD Q03181 2/20 0.41
TDP1 Q9NUW8 2/20 0.40
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
POLB P06746 1/20 0.33
TP53 P04637 1/20 0.32
ATM Q13315 1/20 0.30

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
SCHEMBL10838280 0.80 CA12 (0.30)
SCHEMBL11576647 0.79 PPARD (0.44) GAAKMT2AMEN1CYP2C9CYP2C19
SCHEMBL8497949 0.78 CTSA (0.33) GAAATM
SCHEMBL35874 0.76 TSHR (0.44) GAAKMT2AMEN1CYP2C9CYP2C19
SCHEMBL5050661 0.74 MEN1 (0.63) GAAKMT2AMEN1CYP2C9CYP2C19
SCHEMBL19979585 0.74 MEN1 (0.63) GAAKMT2AMEN1CYP2C9CYP2C19
SCHEMBL11577243 0.74 TSHR (0.39) GAATSHRPPARDTDP1MAPT
SCHEMBL6750640 0.73 TSHR (0.50) GAATSHRPPARDTDP1MAPT
SCHEMBL11365714 0.73 FDPS (0.34) TDP1
SCHEMBL530398 0.72 CYP2C9 (0.56) GAAKMT2AMEN1CYP2C9CYP2C19

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-5981612-A Production of flameproofed, rigid, isocyanate-based foams BASF AKTIENGESELLSCHAFT (DE) 1999-11-09 US disclosed
EP-0719807-B1 Process for the preparation of flame-proofed rigid foams based on isocyanate BASF SCHWARZHEIDE GMBH (DE) 1999-11-03 EP disclosed
EP-0719807-A2 Process for the preparation of flame-proofed rigid foams based on isocyanate BASF SCHWARZHEIDE GmbH (DE) 1996-07-03 EP disclosed