SCHEMBL28486683

SCHEMBL28486683

COC(=O)C(C)NC(=O)/C=C/c1ccc(OC)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.79
▸ TAS1R3 Q7RTX0 6/20 0.72
▸ TAS1R1 Q7RTX1 6/20 0.72
▸ HDAC3 O15379 2/20 0.65
▸ HDAC1 Q13547 2/20 0.65
▸ HDAC2 Q92769 2/20 0.65
▸ HDAC8 Q9BY41 2/20 0.65
▸ HDAC6 Q9UBN7 2/20 0.65
▸ HDAC4 P56524 1/20 0.60
▸ HDAC7 Q8WUI4 1/20 0.60
▸ HDAC10 Q969S8 1/20 0.60
▸ HDAC11 Q96DB2 1/20 0.60
▸ HDAC9 Q9UKV0 1/20 0.60
▸ HDAC5 Q9UQL6 1/20 0.60
▸ GAA P10253 1/20 0.58
▸ RECQL P46063 1/20 0.58
▸ GSK3B P49841 1/20 0.58
▸ F3 P13726 1/20 0.57
▸ CYP1A2 P05177 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56

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
SCHEMBL25497554 1.00 SMN1; SMN2 (0.79) SMN1; SMN2TAS1R3TAS1R1HDAC3HDAC1
SCHEMBL28486682 1.00 SMN1; SMN2 (0.79) SMN1; SMN2TAS1R3TAS1R1HDAC3HDAC1
SCHEMBL1557352 0.88 SMN1; SMN2 (1.00) SMN1; SMN2TAS1R3TAS1R1HDAC3HDAC1
SCHEMBL1557439 0.88 SMN1; SMN2 (1.00) SMN1; SMN2TAS1R3TAS1R1HDAC3HDAC1
SCHEMBL28483599 0.88 SMN1; SMN2 (1.00) SMN1; SMN2TAS1R3TAS1R1HDAC3HDAC1
SCHEMBL1558855 0.88 SMN1; SMN2 (1.00) SMN1; SMN2TAS1R3TAS1R1HDAC3HDAC1
SCHEMBL1557437 0.88 SMN1; SMN2 (1.00) SMN1; SMN2TAS1R3TAS1R1HDAC3HDAC1
SCHEMBL1557350 0.88 SMN1; SMN2 (1.00) SMN1; SMN2TAS1R3TAS1R1HDAC3HDAC1
SCHEMBL28479291 0.87 SMN1; SMN2 (0.59) SMN1; SMN2TAS1R3TAS1R1THRBTP53
SCHEMBL28479289 0.87 SMN1; SMN2 (0.59) SMN1; SMN2TAS1R3TAS1R1THRBTP53

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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