SCHEMBL7106475

SCHEMBL7106475

CCCCCC(N)(N)C(O)CC

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FDPS P14324 6/20 0.42
SMPD1 P17405 4/20 0.41
TSHR P16473 1/20 0.39
GGPS1 O95749 2/20 0.34
SPHK1 Q9NYA1 1/20 0.34
TNNC1 P63316 5/20 0.34
S1PR4 O95977 2/20 0.34
S1PR1 P21453 2/20 0.34
S1PR3 Q99500 2/20 0.34
S1PR5 Q9H228 2/20 0.34
SGPL1 O95470 1/20 0.34
GPR183 P32249 1/20 0.34
CERS2 Q96G23 1/20 0.34
S1PR2 O95136 1/20 0.34

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
SCHEMBL8998071 0.82 FDPS (0.42) FDPSSMPD1TSHRGGPS1SPHK1
SCHEMBL27933282 0.81 FDPS (0.41) FDPSSMPD1GGPS1SPHK1
SCHEMBL27649671 0.79 FDPS (0.43) FDPSSMPD1GGPS1SPHK1
Ammonia Solution, Strong SCHEMBL28030706 0.77 FDPS (0.42) FDPSSMPD1GGPS1SPHK1
SCHEMBL28511564 0.75 SMPD1 (0.41) FDPSSMPD1TSHRGGPS1SPHK1
SCHEMBL8998092 0.74 FDPS (0.40) FDPSSMPD1TSHRSPHK1TNNC1
SCHEMBL27556295 0.74 FDPS (0.39) FDPSSMPD1TSHRGGPS1SPHK1
SCHEMBL28288167 0.74 ARG1 (0.45) FDPSSMPD1
SCHEMBL28732851 0.73 FDPS (0.41) FDPSSMPD1TSHRGGPS1SPHK1
SCHEMBL8896064 0.73 TSHR (0.44) FDPSTSHRGGPS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1092737-B1 Catalyst composition for the production of a polyurethane resin, and method for producing a polyurethane resin TOSOH CORP (JP) 2003-09-24 EP claimed
CN-101501092-B Catalyst composition for polyurethane resin production and method for producing polyurethane resin TOSOH CORP 2011-09-28 CN disclosed
CN-101501092-A Catalyst composition for polyurethane resin production and method for producing polyurethane resin TOSOH CORP (JP) 2009-08-05 CN disclosed
EP-1092737-B1 Catalyst composition for the production of a polyurethane resin, and method for producing a polyurethane resin TOSOH CORP (JP) 2003-09-24 EP disclosed