SCHEMBL29114652

SCHEMBL29114652

CC(=O)Cc1c2ccccc2c(SCCO)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.42
MAPK1 P28482 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
S100A4 P26447 3/20 0.38
TSHR P16473 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
CDC25A P30304 2/20 0.38
CDC25B P30305 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPT P10636 2/20 0.38
APAF1 O14727 1/20 0.38
MAP2K7 O14733 1/20 0.38
NPC1 O15118 1/20 0.38
GMNN O75496 1/20 0.38
TDP2 O95551 1/20 0.38
LMNA P02545 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
SCHEMBL29136246 0.80 KDM4E (0.42) KDM4ESMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL22497402 0.80 KDM4E (0.51) KDM4EMAPK1SMN1; SMN2S100A4TSHR
SCHEMBL29114637 0.75 KDM4E (0.40) KDM4EMAPK1SMN1; SMN2S100A4TSHR
SCHEMBL10488466 0.71 KDM4E (0.45) KDM4EMAPK1SMN1; SMN2S100A4TSHR
SCHEMBL29512190 0.69 KDM4E (0.41) KDM4EMAPK1SMN1; SMN2S100A4TSHR
Hydrochloric Acid SCHEMBL10488363 0.69 KDM4E (0.38) KDM4EMAPK1SMN1; SMN2S100A4TSHR
SCHEMBL28195038 0.68 HTR2A (0.50) KDM4ESMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL29114638 0.68 MEN1 (0.59) KDM4EMAPK1SMN1; SMN2S100A4TSHR
SCHEMBL28818374 0.67 KDM4E (0.66) KDM4ESMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL11159096 0.66 CA2 (0.47) KDM4EMAPK1ALDH1A1HPGDMAPT

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-114929158-B Method for producing denture, curable composition for photoforming, and kit for producing denture 株式会社德山齿科 2023-10-20 CN disclosed