SCHEMBL30487232

SCHEMBL30487232

COc1ccc2c(c1)C=C(C)C2=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 2/20 0.45
PTPN1 P18031 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 1/20 0.41
GSTP1 P09211 1/20 0.41
HTT P42858 2/20 0.40
APAF1 O14727 1/20 0.40
MITF O75030 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
EP300 Q09472 1/20 0.40
KAT2A Q92830 1/20 0.40

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
SCHEMBL11834110 1.00 METAP1 (0.45) METAP1PTPN1CA1CA2CA4
SCHEMBL28458654 0.85 ALDH1A1 (0.46) METAP1PTPN1CA1CA2CA4
SCHEMBL31619923 0.85 ALDH1A1 (0.46) METAP1PTPN1CA1CA2CA4
SCHEMBL30002619 0.80 ALDH1A1 (0.53) METAP1PTPN1CA1CA2CA4
SCHEMBL12760698 0.80 PTPN1 (0.54) METAP1PTPN1CA1CA2CA4
SCHEMBL12760759 0.80 ALDH1A1 (0.53) METAP1PTPN1CA1CA2CA4
SCHEMBL8221232 0.80 PTPN1 (0.46) METAP1PTPN1CA1CA2CA4
SCHEMBL28518464 0.77 METAP1 (0.41) METAP1PTPN1CA1CA2CA4
SCHEMBL31619882 0.76 MAOA (0.54) METAP1CA1CA2CA4CA7
SCHEMBL11826410 0.76 MAOA (0.54) METAP1CA1CA2CA4CA7

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-120136701-A Method for preparing alpha-hydroxy-beta-keto ester compound by driving molecular oxygen through visible light on water 新乡医学院第三附属医院 2025-06-13 CN disclosed
CN-116535341-A Method for synthesizing alpha-thiocyano-beta-dicarbonyl compounds by utilizing photocatalytic oxidation strategy 新乡医学院 2023-08-04 CN disclosed