SCHEMBL28914255

SCHEMBL28914255

COc1cccc(OC)c1Cn1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c(O)c1=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VEGFA P15692 4/20 0.68
▸ EGLN1 Q9GZT9 4/20 0.68
▸ KDM4E B2RXH2 6/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ HTT P42858 3/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ALOX15 P16050 2/20 0.40
▸ ABCB1 P08183 1/20 0.40
▸ P2RX3 P56373 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ CHRM4 P08173 1/20 0.39
▸ CHRM1 P11229 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
SCHEMBL28567341 0.90 VEGFA (0.68) VEGFAEGLN1KDM4EALDH1A1HTT
SCHEMBL17005886 0.90 VEGFA (0.54) VEGFAEGLN1KDM4EALDH1A1HTT
SCHEMBL28566297 0.90 VEGFA (0.65) VEGFAEGLN1KDM4EALDH1A1HTT
SCHEMBL28563633 0.88 VEGFA (0.71) VEGFAEGLN1KDM4EALDH1A1HTT
SCHEMBL17005965 0.88 ALDH1A1 (0.52) VEGFAEGLN1KDM4EALDH1A1HTT
SCHEMBL28567992 0.87 VEGFA (0.69) VEGFAEGLN1KDM4EALDH1A1ALOX15
SCHEMBL28563005 0.87 VEGFA (0.69) VEGFAEGLN1KDM4EALDH1A1LMNA
SCHEMBL28563641 0.87 VEGFA (0.75) VEGFAEGLN1KDM4EALDH1A1HTT
SCHEMBL28571945 0.87 VEGFA (0.69) VEGFAEGLN1KDM4EALDH1A1POLB
SCHEMBL17005930 0.87 VEGFA (0.55) VEGFAEGLN1KDM4EALDH1A1HTT

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
CN-106232120-B Process for preparing N-benzyl-3-hydroxy-4-substituted-pyridin-2- (1H) -ones 爱尔皮奥治疗有限公司 2021-01-08 — — CN disclosed
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