SCHEMBL28490264

SCHEMBL28490264

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.64
▸ HDAC3 O15379 1/20 0.63
▸ ADAM17 P78536 1/20 0.63
▸ HDAC1 Q13547 1/20 0.63
▸ HDAC2 Q92769 1/20 0.63
▸ HDAC10 Q969S8 1/20 0.63
▸ HDAC11 Q96DB2 1/20 0.63
▸ HDAC8 Q9BY41 1/20 0.63
▸ HDAC6 Q9UBN7 1/20 0.63
▸ HDAC5 Q9UQL6 1/20 0.63
▸ NOS3 P29474 4/20 0.60
▸ NOS1 P29475 4/20 0.60
▸ NOS2 P35228 4/20 0.60
▸ CYP1A2 P05177 1/20 0.55
▸ MAOB P27338 3/20 0.53
▸ TRPA1 O75762 1/20 0.52
▸ TRPM8 Q7Z2W7 1/20 0.52
▸ UTS2R Q9UKP6 2/20 0.52
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50

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
SCHEMBL28490266 1.00 SMN1; SMN2 (0.64) SMN1; SMN2HDAC3ADAM17HDAC1HDAC2
SCHEMBL28481411 0.86 NOS3 (0.72) SMN1; SMN2HDAC3ADAM17HDAC1HDAC2
SCHEMBL28481413 0.86 NOS3 (0.72) SMN1; SMN2HDAC3ADAM17HDAC1HDAC2
SCHEMBL28483945 0.84 KMT2A (0.70) SMN1; SMN2NOS3NOS1NOS2TRPA1
SCHEMBL28483947 0.84 KMT2A (0.70) SMN1; SMN2NOS3NOS1NOS2TRPA1
SCHEMBL28483777 0.82 SMN1; SMN2 (0.71) SMN1; SMN2CYP1A2TRPM8UTS2RMEN1
SCHEMBL1559044 0.82 SMN1; SMN2 (0.71) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10
SCHEMBL31440320 0.82 SMN1; SMN2 (0.71) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10
SCHEMBL28483776 0.82 SMN1; SMN2 (0.71) SMN1; SMN2CYP1A2TRPM8UTS2RMEN1
SCHEMBL1557401 0.82 SMN1; SMN2 (0.71) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10

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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