SCHEMBL28479289

SCHEMBL28479289

COC(=O)[C@@H](C)NC(=O)/C=C/c1ccc(C)cc1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.59
▸ NOS3 P29474 8/20 0.55
▸ NOS1 P29475 8/20 0.55
▸ NOS2 P35228 8/20 0.55
▸ TAS1R3 Q7RTX0 4/20 0.54
▸ TAS1R1 Q7RTX1 4/20 0.54
▸ MAPT P10636 2/20 0.52
▸ TP53 P04637 1/20 0.52
▸ THRB P10828 1/20 0.52
▸ UTS2R Q9UKP6 1/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ MMP1 P03956 1/20 0.49
▸ MMP2 P08253 1/20 0.49
▸ MMP9 P14780 1/20 0.49
▸ MEN1 O00255 1/20 0.49

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
SCHEMBL28479291 1.00 SMN1; SMN2 (0.59) SMN1; SMN2NOS3NOS1NOS2TAS1R3
SCHEMBL28486683 0.87 SMN1; SMN2 (0.79) SMN1; SMN2TAS1R3TAS1R1MAPTTP53
SCHEMBL28489858 0.87 NOS2 (0.70) SMN1; SMN2NOS3NOS1NOS2TAS1R3
SCHEMBL28486682 0.87 SMN1; SMN2 (0.79) SMN1; SMN2TAS1R3TAS1R1MAPTTP53
SCHEMBL28902465 0.87 NOS2 (0.70) SMN1; SMN2NOS3NOS1NOS2TAS1R3
SCHEMBL25497554 0.87 SMN1; SMN2 (0.79) SMN1; SMN2TAS1R3TAS1R1MAPTTP53
SCHEMBL28483776 0.84 SMN1; SMN2 (0.71) SMN1; SMN2TAS1R3TAS1R1MAPTTP53
SCHEMBL28483777 0.84 SMN1; SMN2 (0.71) SMN1; SMN2TAS1R3TAS1R1MAPTTP53
SCHEMBL28481413 0.83 NOS3 (0.72) SMN1; SMN2NOS3NOS1NOS2TAS1R3
SCHEMBL28481411 0.83 NOS3 (0.72) SMN1; SMN2NOS3NOS1NOS2TAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111807983-A Cinnamic acid derivative and preparation method thereof 五邑大学 2020-10-23 — — CN claimed
CN-111807983-B Cinnamic acid derivative and preparation method thereof 五邑大学 2022-11-01 — — CN disclosed
CN-111807983-A Cinnamic acid derivative and preparation method thereof 五邑大学 2020-10-23 — — CN disclosed
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