SCHEMBL28449561

SCHEMBL28449561

Cc1cccc(C)c1NC(=O)/C=C/c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 11/20 0.71
▸ MMP2 P08253 11/20 0.71
▸ MMP9 P14780 11/20 0.71
▸ EGFR P00533 7/20 0.71
▸ MAOA P21397 2/20 0.62
▸ MAOB P27338 2/20 0.62
▸ HDAC3 O15379 1/20 0.58
▸ HDAC4 P56524 1/20 0.58
▸ HDAC1 Q13547 1/20 0.58
▸ HDAC2 Q92769 1/20 0.58
▸ HDAC8 Q9BY41 1/20 0.58
▸ HDAC6 Q9UBN7 1/20 0.58
▸ KDM4E B2RXH2 1/20 0.57
▸ MAPT P10636 2/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ MITF O75030 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ MDM2 Q00987 1/20 0.57
▸ KMT2A Q03164 1/20 0.57

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
SCHEMBL28449565 1.00 MMP1 (0.71) MMP1MMP2MMP9EGFRMAOA
SCHEMBL13755322 0.87 MMP1 (0.63) MMP1MMP2MMP9EGFRMAOA
N-O-Tolylcinnamamide SCHEMBL15902545 0.83 MMP1 (1.00) MMP1MMP2MMP9EGFRMAOA
N-O-Tolylcinnamamide SCHEMBL29844171 0.83 MMP1 (1.00) MMP1MMP2MMP9EGFRMAOA
N-O-Tolylcinnamamide SCHEMBL2593754 0.83 MMP1 (1.00) MMP1MMP2MMP9EGFRMAOA
N-O-Tolylcinnamamide SCHEMBL2593756 0.83 MMP1 (1.00) MMP1MMP2MMP9EGFRMAOA
SCHEMBL27493724 0.81 MMP1 (0.78) MMP1MMP2MMP9EGFRMAOA
SCHEMBL11576171 0.81 MMP1 (0.71) MMP1MMP2MMP9EGFRMAOA
SCHEMBL11575343 0.81 MMP1 (0.71) MMP1MMP2MMP9EGFRMAOA
SCHEMBL9354277 0.81 ALDH1A1 (0.64) KDM4EMAPTSMN1; SMN2LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111217694-B Method for selectively reducing carbon-carbon double bond in alpha, beta-unsaturated carbonyl compound 五邑大学 2022-09-30 — — CN disclosed
CN-111217694-A method for selectively reducing carbon-carbon double bond in α, beta-unsaturated carbonyl compound 五邑大学 2020-06-02 — — CN disclosed
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