SCHEMBL27784542

SCHEMBL27784542

COc1ccc2c(c1OC)C(=O)OC2C(=O)OCl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 10/20 0.57
▸ HPGD P15428 3/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ ALDH1A1 P00352 7/20 0.51
▸ MAPT P10636 7/20 0.51
▸ KMT2A Q03164 5/20 0.51
▸ NPSR1 Q6W5P4 3/20 0.51
▸ TAAR1 Q96RJ0 1/20 0.49
▸ GAA P10253 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ ALPL P05186 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ ALPG P10696 1/20 0.48
▸ ALOX12 P18054 1/20 0.48
▸ PLAA Q9Y263 1/20 0.48
▸ HSD17B10 Q99714 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ LMNA P02545 3/20 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
SCHEMBL22703276 0.85 KDM4E (0.65) KDM4EHPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL7825295 0.85 KDM4E (0.65) KDM4EHPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL14970288 0.73 KDM4E (0.73) KDM4EHPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL16209362 0.73 KDM4E (0.73) KDM4EHPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL11236067 0.73 KDM4E (0.54) KDM4EHPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL7830543 0.73 KDM4E (1.00) KDM4EHPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL14970274 0.69 KDM4E (0.56) KDM4EHPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL16209378 0.69 KDM4E (0.56) KDM4EHPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL16209979 0.69 KDM4E (0.58) KDM4EHPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL16209975 0.69 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
CN-101775021-A Method for selective synthesis of alpha-narcotine with participation of blockage group UNIV SHENYANG PHARMACEUTICAL 2010-07-14 — — CN claimed
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