SCHEMBL7086754

SCHEMBL7086754

CCOP(=O)(CC)OCN(C(C)O)C(C)O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
PPARD Q03181 2/20 0.39
ACHE P22303 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
GAA P10253 2/20 0.32
POLB P06746 1/20 0.32
TP53 P04637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 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
SCHEMBL4584399 0.81 TSHR (0.52) TSHRPPARDGAAPOLBTP53
SCHEMBL35874 0.79 TSHR (0.44) TSHRPPARDMAPTMAPK1GAA
SCHEMBL11140616 0.78 PGK1 (0.43)
SCHEMBL26483 0.74 TSHR (1.00) TSHRPPARDACHEGAATP53
SCHEMBL5961215 0.74 TSHR (1.00) TSHRPPARDACHEGAATP53
SCHEMBL21219389 0.72 TSHR (0.58) TSHRPPARDMAPTMAPK1GAA
SCHEMBL31574613 0.72 TSHR (0.94) TSHRPPARDACHEGAATP53
SCHEMBL28492909 0.72 TSHR (0.94) TSHRPPARDACHEGAATP53
SCHEMBL11745101 0.72 TSHR (0.94) TSHRPPARDACHEGAATP53
SCHEMBL29034374 0.72 TSHR (0.94) TSHRPPARDACHEMAPTGAA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030065045-A1 Preparation of rigid polyurethane foams having retarded reactivity BASF AKTIENGESELLSCHAFT (DE) 2003-04-03 US disclosed
US-5688835-A Preparation of polyurethane rigid foams BASF ELASTOGRAN GMBH (DE) 1997-11-18 US disclosed
US-5654344-A Production of rigid to semirigid polyurethane foams having an increased proportion of open cells and reduced shrinkage BASF AKTIENGESELLSCHAFT (DE) 1997-08-05 US disclosed
US-5578653-A Preparation of cellular polyurethanes BASF SCHWARZHEIDE (DE) 1996-11-26 US disclosed
US-5300534-A Closed-cell foams containing gaseous mixture including vinylfluoroalkane BASF AKTIENGESELLSCHAFT (DE) 1994-04-05 US disclosed
US-5278195-A Heating, blowing with vinyl fluoroalkane BASF AKTIENGESELLSCHAFT (DE) 1994-01-11 US disclosed
US-5205956-A Fluorocarbon blowing agent BASF AKTIENGESELLSCHAFT (DE) 1993-04-27 US disclosed