SCHEMBL7098405

SCHEMBL7098405

C=C(C)C(=O)N[C@@H](CC(C)C)C(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 9/20 0.49
TAS1R1 Q7RTX1 9/20 0.49
TGFBR1 P36897 1/20 0.49
BIRC2 Q13490 1/20 0.47
POLB P06746 1/20 0.47
FOLH1 Q04609 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 1/20 0.43
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43

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
SCHEMBL27412717 1.00 TAS1R3 (0.49) TAS1R3TAS1R1TGFBR1BIRC2POLB
SCHEMBL3574778 0.83 NPSR1 (0.48) TGFBR1POLBALDH1A1
SCHEMBL3574775 0.83 NPSR1 (0.48) TGFBR1POLBALDH1A1
SCHEMBL8955224 0.82 TGFBR1 (0.42) TAS1R3TAS1R1TGFBR1BIRC2POLB
SCHEMBL6242220 0.81 TGFBR1 (0.67) TGFBR1FOLH1ALDH1A1
SCHEMBL8032842 0.81 TGFBR1 (0.67) TGFBR1FOLH1ALDH1A1
SCHEMBL5812880 0.81 ALDH1A1 (0.64) TAS1R3TAS1R1BIRC2POLBFOLH1
SCHEMBL11316551 0.81 ALDH1A1 (0.64) TAS1R3TAS1R1BIRC2POLBFOLH1
SCHEMBL245758 0.81 ALDH1A1 (0.64) TAS1R3TAS1R1BIRC2POLBFOLH1
SCHEMBL23246680 0.80 TGFBR1 (0.50) TGFBR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8059586-A None JP disclosed
CN-101213225-B Solidifying composition and method for temporary fixing of part by using the same DENKI KAGAKU KOGYO KK 2011-03-30 CN disclosed
CN-101213225-A Solidifying composition and method for temporary fixing of part by using the same DENKI KAGAKU KOGYO KK (JP) 2008-07-02 CN disclosed
EP-0861861-B1 Polymer polyol, and flame retardant polyurethane resin and foam prepared therefrom MITSUI CHEMICALS INC (JP) 2003-08-27 EP disclosed
CN-1093145-C Polymer polyol and flame retardant polyurethane resin and foam prepared therefrom MITSUI CHEMICALS INC (JP) 2002-10-23 CN disclosed
US-6117937-A ACRYLAMIDE POLYMER DISPERSED IN POLYOL, MITSUI CHEMICALS INC. (JP) 2000-09-12 US disclosed
EP-0861861-A1 Polymer polyol, and flame retardant polyurethane resin and foam prepared therefrom Mitsui Chemicals, Inc. (JP) 1998-09-02 EP disclosed
JP-H0859586-A N-(METH)ACRYLOYL-LEUCINE ALKYL ESTER, ITS PRODUCTION AND ITS POLYMER AIBAITSU KK 1996-03-05 JP disclosed