SCHEMBL23802409

SCHEMBL23802409

CCC(O)/C=C\C(C)CCC(=O)Nc1cc(C)ccc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ PLK1 P53350 7/20 0.42
▸ PLK3 Q9H4B4 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ TRPM2 O94759 1/20 0.41
▸ HDAC3 O15379 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ HDAC9 Q9UKV0 1/20 0.39

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
SCHEMBL11055197 0.71 KMT2A (0.51) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL14515856 0.69 HCAR2 (0.64) RAB9APLK1PLK3HCAR2
SCHEMBL18520605 0.68 HCAR2 (0.77) RAB9AHCAR2
SCHEMBL14290089 0.68 RAB9A (0.52) MEN1KMT2ARAB9AGAAHCAR2
SCHEMBL6891543 0.68 KMT2A (0.55) KDM4EALDH1A1MEN1KMT2APLK1
SCHEMBL20355814 0.67 GAA (0.50) KDM4EALDH1A1MEN1KMT2AGAA
SCHEMBL14290037 0.67 HCAR2 (0.51) RAB9AGAAHCAR2
SCHEMBL14289936 0.67 HCAR2 (0.58) RAB9AGAAHCAR2
SCHEMBL9866534 0.67 GAA (0.46) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL20339451 0.66 GAA (0.58) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021176074-A1 COMPOSITION COMPRISING AN AVENANTHRAMIDE WITH IMPROVED SKIN PENETRATION SYMRISE AG (DE) 2021-09-10 — — WO disclosed
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