SCHEMBL9370334

SCHEMBL9370334

O=C(O)OCCCCCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.62
MAPT P10636 1/20 0.58
RXFP1 Q9HBX9 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.56
NPC1 O15118 1/20 0.56
RECQL P46063 1/20 0.56
RAB9A P51151 1/20 0.56
FFAR1 O14842 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
NAAA Q02083 2/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC3 O15379 1/20 0.52
MAPK1 P28482 1/20 0.52
ADRA1A P35348 1/20 0.52
HDAC4 P56524 1/20 0.52
SLC6A3 Q01959 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52

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
SCHEMBL21681731 1.00 LMNA (0.62) LMNAMAPTRXFP1SMN1; SMN2NPC1
SCHEMBL21681730 1.00 LMNA (0.62) LMNAMAPTRXFP1SMN1; SMN2NPC1
SCHEMBL21681727 1.00 LMNA (0.62) LMNAMAPTRXFP1SMN1; SMN2NPC1
SCHEMBL21681726 1.00 LMNA (0.62) LMNAMAPTRXFP1SMN1; SMN2NPC1
SCHEMBL1553490 0.98 LMNA (0.65) LMNAMAPTRXFP1SMN1; SMN2NPC1
Bicarbonate SCHEMBL27813134 0.96 LMNA (0.62) LMNAMAPTRXFP1SMN1; SMN2NPC1
SCHEMBL1554317 0.92 LMNA (0.72) LMNAMAPTRXFP1SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL11851895 0.90 LMNA (0.70) LMNAMAPTRXFP1SMN1; SMN2NPC1
SCHEMBL1839278 0.89 LMNA (0.62) LMNAMAPTRXFP1SMN1; SMN2NPC1
SCHEMBL1836828 0.89 LMNA (0.62) LMNAMAPTRXFP1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109803992-B Isocyanate composition and method for producing isocyanate polymer 旭化成株式会社 2022-05-24 CN disclosed
CN-109843963-B Isocyanate composition, method for producing isocyanate polymer, and isocyanate polymer 旭化成株式会社 2022-05-13 CN disclosed
US-11174337-B2 Isocyanate composition, method for producing isocyanate polymer and isocyanate polymer ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-11-16 US disclosed
CN-107963982-B Polyisocyanate composition and isocyanate polymer composition 旭化成株式会社 2021-11-12 CN disclosed
US-20200048405-A1 ISOCYANATE COMPOSITION, METHOD FOR PRODUCING ISOCYANATE POLYMER AND ISOCYANATE POLYMER ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-02-13 US disclosed
CN-102471244-B Process for producing N-substituted carbamate, process for producing isocyanate using the N-substituted carbamate, and composition for transporting and storing N-substituted carbamate containing N-substituted carbamate and aromatic hydroxy compound ASAHI CHEMICAL CORP 2014-09-24 CN disclosed
CN-102105439-A Method for producing N-substituted carbamate and method for producing isocyanate using the N-substituted carbamate ASAHI KASEI CHEMICALS CORP (JP) 2011-06-22 CN disclosed
CN-1224001-A Process for preparation of carbonates and polycarbonates MONSANTO CO (US) 1999-07-28 CN disclosed
US-5344934-A Reaction of carbon dioxide and amine in aprotic solvents MONSANTO COMPANY (US) 1994-09-06 US disclosed