SCHEMBL29375243

SCHEMBL29375243

COc1ccc2c(c1)OC(O)(c1ccccc1)CC2=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.60
ALDH1A1 P00352 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
RIPK1 Q13546 1/20 0.56
LMNA P02545 1/20 0.56
CRHBP P24387 1/20 0.56
HTT P42858 1/20 0.56
CRHR2 Q13324 1/20 0.56
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
MAPT P10636 2/20 0.53
CYP19A1 P11511 6/20 0.50
MAOB P27338 4/20 0.50
TP53 P04637 1/20 0.50
HTR2C P28335 1/20 0.49
KLK7 P49862 1/20 0.48
NPSR1 Q6W5P4 2/20 0.47
ATM Q13315 1/20 0.47
PPIB P23284 1/20 0.44
GAA P10253 1/20 0.43

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
SCHEMBL7076952 0.86 MAOB (0.55) KDM4EALDH1A1SMN1; SMN2RIPK1MAOB
SCHEMBL30238224 0.86 ALDH1A1 (0.48) KDM4EALDH1A1SMN1; SMN2RIPK1LMNA
SCHEMBL30872986 0.84 RIPK1 (0.53) KDM4EALDH1A1SMN1; SMN2RIPK1LMNA
SCHEMBL28387593 0.82 ALDH1A1 (0.54) KDM4EALDH1A1SMN1; SMN2LMNACRHBP
SCHEMBL23610338 0.81 KDM4E (0.58) KDM4EALDH1A1RIPK1HTTMEN1
SCHEMBL28397329 0.81 ALDH1A1 (0.53) KDM4EALDH1A1SMN1; SMN2RIPK1LMNA
SCHEMBL6565166 0.80 RIPK1 (0.78) KDM4EALDH1A1SMN1; SMN2RIPK1LMNA
SCHEMBL753626 0.79 SIGMAR1 (0.45) KDM4ERIPK1MAPTCYP19A1MAOB
SCHEMBL2022537 0.79 SIGMAR1 (0.45) KDM4ERIPK1MAPTCYP19A1MAOB
SCHEMBL31260255 0.76 MAOB (0.64) KDM4EALDH1A1SMN1; SMN2LMNACRHBP

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-111170979-B Preparation method of bioactive compound (S) -4' -hydroxy-7-methoxy flavanone in Zhangzhou narcissus 厦门大学 2022-02-08 CN disclosed