SCHEMBL30779659

SCHEMBL30779659

COc1ccc2[nH]c(C(=O)O)c(O)c2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.63
ALDH1A1 P00352 6/20 0.63
HSD17B10 Q99714 5/20 0.63
HPGD P15428 3/20 0.63
MEN1 O00255 10/20 0.59
KMT2A Q03164 10/20 0.59
GAA P10253 8/20 0.59
GFER P55789 2/20 0.59
CDK5 Q00535 2/20 0.59
CDK5R1 Q15078 2/20 0.59
GSK3A P49840 1/20 0.59
GSK3B P49841 1/20 0.59
POLB P06746 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
MAPT P10636 4/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
MDM2 Q00987 1/20 0.57
TSHR P16473 1/20 0.56

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
SCHEMBL30779683 0.88 GPR17 (0.63) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL2396662 0.86 KDM4E (0.72) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL38662825 0.84 KDM4E (0.63) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL4344048 0.83 KDM4E (0.61) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL28095440 0.83 KDM4E (0.61) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL2730951 0.83 KDM4E (0.61) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL8139342 0.82 KDM4E (0.49) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL38665015 0.81 ALDH1A1 (0.78) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL8692433 0.81 KDM4E (0.59) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL1429238 0.81 KDM4E (0.59) KDM4EALDH1A1HSD17B10HPGDMEN1

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-117800893-A Indolecarboxylic acid compounds, mixtures of indolecarboxylic acid compounds, and analytical methods 日本电子株式会社 2024-04-02 CN disclosed