SCHEMBL9052340

SCHEMBL9052340

C=CCOC(=O)C(CC(C)C)NC(=O)OC=C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.40
TAS1R1 Q7RTX1 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TYR P14679 1/20 0.36
FOLH1 Q04609 4/20 0.35
CASP1 P29466 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CTSK P43235 3/20 0.34
BIRC2 Q13490 1/20 0.33
POLB P06746 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33

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
SCHEMBL9052342 1.00 TAS1R3 (0.40) TAS1R3TAS1R1SMN1; SMN2TDP1TYR
SCHEMBL9047102 0.86 TAS1R3 (0.52) TAS1R3TAS1R1SMN1; SMN2FOLH1BIRC2
SCHEMBL13613767 0.82 SMN1; SMN2 (0.56) TAS1R3TAS1R1SMN1; SMN2TDP1ALDH1A1
SCHEMBL15107083 0.82 SMN1; SMN2 (0.49) TAS1R3TAS1R1SMN1; SMN2TDP1TYR
SCHEMBL7269277 0.81 TAS1R3 (0.51) TAS1R3TAS1R1SMN1; SMN2FOLH1CASP1
SCHEMBL7269272 0.81 TAS1R3 (0.51) TAS1R3TAS1R1SMN1; SMN2FOLH1CASP1
SCHEMBL8955224 0.79 TGFBR1 (0.42) TAS1R3TAS1R1SMN1; SMN2TDP1FOLH1
SCHEMBL15106970 0.78 SMN1; SMN2 (0.41) TAS1R3TAS1R1SMN1; SMN2TDP1TYR
SCHEMBL2402155 0.78 ALDH1A1 (0.51) TYRFOLH1CASP1ALDH1A1
SCHEMBL8951293 0.78 ALDH1A1 (0.51) TYRFOLH1CASP1ALDH1A1

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
JP-8127564-A None JP disclosed
JP-H08127564-A N-VINYLOXYCARBONYL-LEUCINE ALKYL ESTER, ITS PRODUCTION AND POLYMER THEREFROM AIBAITSU KK 1996-05-21 JP disclosed