SCHEMBL28032836

SCHEMBL28032836

COC(=O)c1c(C(=O)O)c(C(=O)O)c(C(=O)O)c2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
TSHR P16473 1/20 0.52
NR4A2 P43354 2/20 0.50
LMNA P02545 2/20 0.50
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 3/20 0.45
ATM Q13315 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL3194807 0.90 MEN1 (0.60) MEN1KMT2ATSHRNR4A2LMNA
SCHEMBL11786743 0.87 CA12 (0.58) MEN1KMT2ATSHRNR4A2LMNA
SCHEMBL70573 0.85 CA12 (0.60) MEN1KMT2ATSHRNR4A2LMNA
SCHEMBL1225727 0.83 KDM4E (0.47) MEN1KMT2ATSHRNR4A2LMNA
SCHEMBL54422 0.82 KDM4E (0.58) MEN1KMT2ATSHRNR4A2LMNA
SCHEMBL973742 0.81 MEN1 (0.59) MEN1KMT2ATSHRNR4A2LMNA
SCHEMBL28383554 0.80 KDM4E (0.56) MEN1KMT2ATSHRNR4A2LMNA
SCHEMBL16616351 0.80 KDM4E (0.56) MEN1KMT2ATSHRNR4A2LMNA
Hydrochloric Acid SCHEMBL16014117 0.80 KDM4E (0.56) MEN1KMT2ATSHRNR4A2LMNA
SCHEMBL31386574 0.80 KDM4E (0.56) MEN1KMT2ATSHRNR4A2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105267069-A Cucumber mask LI LISHA 2016-01-27 CN disclosed
CN-105267109-A Kojic acid freckle removing whitening cream GUO XIAOYAN 2016-01-27 CN disclosed
CN-105267071-A Cherry mask YANG YULIN 2016-01-27 CN disclosed