SCHEMBL9370539

SCHEMBL9370539

CCCCOC(=O)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.54
ALDH1A1 P00352 4/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
MAPK1 P28482 3/20 0.54
TDP1 Q9NUW8 2/20 0.54
CYP3A4 P08684 2/20 0.54
LMNA P02545 4/20 0.51
HSD17B10 Q99714 3/20 0.50
NPC1 O15118 1/20 0.50
ALOX15 P16050 1/20 0.50
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
POLB P06746 1/20 0.47
TP53 P04637 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.46

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
SCHEMBL5116198 0.87 TSHR (0.46) TSHRALDH1A1L3MBTL1MAPK1TDP1
SCHEMBL16682367 0.84 LMNA (0.56) TSHRALDH1A1L3MBTL1TDP1CYP3A4
SCHEMBL27512049 0.84 CNR2 (0.55) TSHRMAPK1LMNAHSD17B10NPC1
SCHEMBL9278775 0.83 ALDH1A1 (0.64) TSHRALDH1A1L3MBTL1MAPK1LMNA
SCHEMBL29253290 0.81 ALDH1A1 (0.49) TSHRALDH1A1L3MBTL1MAPK1TDP1
SCHEMBL27457770 0.80 LMNA (0.47) TSHRALDH1A1MAPK1LMNAHSD17B10
SCHEMBL27343331 0.80 CCR6 (0.56) TSHRALDH1A1L3MBTL1MAPK1TDP1
SCHEMBL5696663 0.79 CNR2 (0.60) ALDH1A1L3MBTL1LMNAHSD17B10POLB
SCHEMBL28271583 0.79 CCR6 (0.58) TSHRALDH1A1L3MBTL1MAPK1TDP1
SCHEMBL8551970 0.79 LTB4R2 (0.55) TSHRALDH1A1L3MBTL1MAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5371183-A Reacting diamine or polyamine with carbon dioxide in solvent in presence of sterically hindered amidine or guanidine to form salt, reacting with hydrocarbyl dihalide or polyhalide in polar aprotic solvent, polymerizing product MONSANTO COMPANY (US) 1994-12-06 US disclosed
US-5349048-A Reaction of carbon dioxide with alcohol to form salt in solvent and reacting with hydrocarbyl halide MONSANTO COMPANY (US) 1994-09-20 US disclosed
US-5344934-A Reaction of carbon dioxide and amine in aprotic solvents MONSANTO COMPANY (US) 1994-09-06 US disclosed
US-5260473-A Reaction of alcohol and carbon dioxide in aprotic solvent and strong amidine or guanidine base MONSANTO COMPANY (US) 1993-11-09 US disclosed
US-5223638-A Reacting primary or secondary amine with carbon dioxide in presence of strong amidine or guanidine base to form ammonium carbamate salt, reacting in polar aprotic solvent with primary or secondary hydrocarbyl halide MONSANTO COMPANY (US) 1993-06-29 US disclosed