SCHEMBL28599779

SCHEMBL28599779

CC(=O)Nc1c(O)c2ccccc2oc1=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.71
SMN1; SMN2 Q16637 2/20 0.66
LMNA P02545 2/20 0.63
CYP1A2 P05177 2/20 0.61
CYP2C19 P33261 2/20 0.61
CYP2D6 P10635 1/20 0.61
CA12 O43570 1/20 0.60
CA9 Q16790 1/20 0.60
KDM4E B2RXH2 6/20 0.57
KMT2A Q03164 3/20 0.56
ALDH1A1 P00352 6/20 0.54
TSHR P16473 2/20 0.54
MAPT P10636 2/20 0.52
NQO1 P15559 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
MEN1 O00255 2/20 0.51
CYP2C9 P11712 2/20 0.51
PCSK7 Q16549 2/20 0.51
ABCB11 O95342 1/20 0.51
TP53 P04637 1/20 0.51

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
SCHEMBL10001286 0.80 SMN1; SMN2 (0.67) POLBSMN1; SMN2LMNACYP1A2CYP2C19
SCHEMBL30933370 0.76 CA12 (1.00) SMN1; SMN2LMNACA12CA9KDM4E
SCHEMBL3527681 0.76 CA12 (1.00) SMN1; SMN2LMNACA12CA9KDM4E
SCHEMBL7907150 0.74 NQO1 (0.73) POLBLMNAKDM4EKMT2AALDH1A1
SCHEMBL11400521 0.74 POLB (0.57) POLBSMN1; SMN2LMNACYP1A2CYP2C19
SCHEMBL7737431 0.74 KDM4E (0.69) SMN1; SMN2LMNACYP1A2CYP2C19CA12
SCHEMBL29379994 0.74 KDM4E (0.69) SMN1; SMN2LMNACYP1A2CYP2C19CA12
SCHEMBL29872 0.74 KDM4E (0.69) SMN1; SMN2LMNACYP1A2CYP2C19CA12
SCHEMBL2774243 0.73 TSHR (0.76) POLBSMN1; SMN2LMNACYP1A2CYP2C19
SCHEMBL5459905 0.73 KDM4E (1.00) SMN1; SMN2LMNACYP1A2CYP2C19CA12

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-109912611-B Benzopyran cosmetic auxiliary material with effect of removing free radicals and preparation method thereof 浙江瑀美生物科技有限公司 2021-07-20 CN disclosed