SCHEMBL28295562

SCHEMBL28295562

COc1ccc(-c2nc(C(=O)OCCO)c(C3CC3)o2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TARBP2 Q15633 7/20 0.55
PDCD4 Q53EL6 1/20 0.55
IKBKB O14920 2/20 0.52
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 2/20 0.40
TP53 P04637 1/20 0.40
KMT2A Q03164 1/20 0.39
MAPT P10636 3/20 0.39
GAA P10253 1/20 0.39
RCE1 Q9Y256 1/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38

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
SCHEMBL28297284 0.89 TARBP2 (0.70) TARBP2PDCD4IKBKBALDH1A1KDM4E
SCHEMBL28297260 0.81 TARBP2 (0.80) TARBP2PDCD4IKBKBALDH1A1KDM4E
SCHEMBL28297291 0.80 TARBP2 (0.57) TARBP2PDCD4IKBKBALDH1A1KDM4E
SCHEMBL28297231 0.79 TARBP2 (0.66) TARBP2PDCD4IKBKBALDH1A1KDM4E
SCHEMBL28297255 0.79 TARBP2 (0.66) TARBP2PDCD4IKBKBALDH1A1KDM4E
SCHEMBL18003221 0.75 ALDH1A1 (0.46) TARBP2PDCD4IKBKBALDH1A1KDM4E
SCHEMBL28295544 0.75 TARBP2 (0.74) TARBP2PDCD4IKBKBALDH1A1KDM4E
SCHEMBL18003287 0.75 ALDH1A1 (0.61) TARBP2PDCD4IKBKBALDH1A1KDM4E
SCHEMBL18003224 0.74 ALDH1A1 (0.47) TARBP2PDCD4IKBKBALDH1A1KDM4E
SCHEMBL18003685 0.74 ALDH1A1 (0.59) TARBP2IKBKBALDH1A1KDM4EHPGD

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-109810071-A A kind of miRNA biosynthesis inhibitor 中国科学院成都生物研究所 2019-05-28 CN disclosed