SCHEMBL28489858

SCHEMBL28489858

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

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 10/20 0.70
▸ NOS3 P29474 8/20 0.70
▸ NOS1 P29475 8/20 0.70
▸ MEN1 O00255 1/20 0.67
▸ KMT2A Q03164 1/20 0.67
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ LMNA P02545 2/20 0.57
▸ HPGD P15428 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.54
▸ TAS1R3 Q7RTX0 2/20 0.52
▸ TAS1R1 Q7RTX1 2/20 0.52
▸ TSHR P16473 1/20 0.51

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
SCHEMBL28902465 1.00 NOS2 (0.70) NOS2NOS3NOS1MEN1KMT2A
SCHEMBL28479289 0.87 SMN1; SMN2 (0.59) NOS2NOS3NOS1MEN1KMT2A
SCHEMBL28479291 0.87 SMN1; SMN2 (0.59) NOS2NOS3NOS1MEN1KMT2A
SCHEMBL25497554 0.85 SMN1; SMN2 (0.79) SMN1; SMN2TAS1R3TAS1R1
SCHEMBL28486682 0.85 SMN1; SMN2 (0.79) SMN1; SMN2TAS1R3TAS1R1
SCHEMBL28486683 0.85 SMN1; SMN2 (0.79) SMN1; SMN2TAS1R3TAS1R1
SCHEMBL28483947 0.85 KMT2A (0.70) NOS2NOS3NOS1MEN1KMT2A
SCHEMBL28483945 0.85 KMT2A (0.70) NOS2NOS3NOS1MEN1KMT2A
SCHEMBL28481411 0.85 NOS3 (0.72) NOS2NOS3NOS1SMN1; SMN2TAS1R3
SCHEMBL28481413 0.85 NOS3 (0.72) NOS2NOS3NOS1SMN1; SMN2TAS1R3

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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