SCHEMBL8631323

SCHEMBL8631323

NCO.O=C(O)NCC=CCO

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
GLRA1 P23415 1/20 0.33
SLC6A9 P48067 1/20 0.33
OR51E2 Q9H255 1/20 0.33
GABRR1 P24046 2/20 0.31
GABRR2 P28476 2/20 0.31
BLM P54132 2/20 0.31
GABRR3 A8MPY1 1/20 0.31
LMNA P02545 1/20 0.31
APEX1 P27695 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL183479 0.93
SCHEMBL23933262 0.93
SCHEMBL19436525 0.81
SCHEMBL19436524 0.81
Hydrochloric Acid SCHEMBL22121481 0.79 GABRR1 (0.42) TSHRCYP2D6CYP2C19CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL23933251 0.79 GABRR1 (0.42) TSHRCYP2D6CYP2C19CYP1A2CYP2C9
SCHEMBL9938536 0.77 TSHR (0.34) TSHRCYP2D6CYP2C19CYP1A2CYP2C9
SCHEMBL9940361 0.77 TSHR (0.34) TSHRCYP2D6CYP2C19CYP1A2CYP2C9
SCHEMBL9938539 0.77 TSHR (0.34) TSHRCYP2D6CYP2C19CYP1A2CYP2C9
SCHEMBL11632122 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0612718-B1 Process for reducing the free aldehyde content in N-alkylol amide momomers NAT STARCH CHEM INVEST (US) 1999-01-13 EP disclosed
EP-0612718-A2 Process for reducing the free aldehyde content in N-alkylol amide momomers National Starch and Chemical Investment Holding Corporation (US) 1994-08-31 EP disclosed