SCHEMBL22703276

SCHEMBL22703276

COc1ccc2c(c1OC)C(=O)O[C@@H]2C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.65
▸ HPGD P15428 4/20 0.65
▸ SMN1; SMN2 Q16637 3/20 0.65
▸ ALDH1A1 P00352 8/20 0.54
▸ MAPT P10636 6/20 0.54
▸ KMT2A Q03164 5/20 0.54
▸ NPSR1 Q6W5P4 3/20 0.54
▸ TAAR1 Q96RJ0 1/20 0.52
▸ GAA P10253 2/20 0.51
▸ POLB P06746 2/20 0.51
▸ TSHR P16473 1/20 0.51
▸ ALPL P05186 1/20 0.51
▸ ALPG P10696 1/20 0.51
▸ ALOX12 P18054 1/20 0.51
▸ PLAA Q9Y263 1/20 0.51
▸ LMNA P02545 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.48
▸ HTT P42858 1/20 0.48
▸ CYP2C19 P33261 1/20 0.47
▸ MEN1 O00255 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
SCHEMBL7825295 1.00 KDM4E (0.65) KDM4EHPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL27784542 0.85 KDM4E (0.57) KDM4EHPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL27911749 0.83 KDM4E (0.49) KDM4EHPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL7830543 0.79 KDM4E (1.00) KDM4EHPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL14970288 0.77 KDM4E (0.73) KDM4EHPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL16209362 0.77 KDM4E (0.73) KDM4EHPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL14970274 0.75 KDM4E (0.56) KDM4EHPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL16209378 0.75 KDM4E (0.56) KDM4EHPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL16209979 0.74 KDM4E (0.58) KDM4EHPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL16209975 0.74 KDM4E (0.58) KDM4EHPGDSMN1; SMN2ALDH1A1MAPT

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
US-20200370204-A1 PROPERTY MODULATION WITH CHEMICAL TRANSFORMATIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2020-11-26 — — US disclosed
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