SCHEMBL10429233

SCHEMBL10429233

COc1cc(-c2coc(-c3ccc(N(C)C)cc3)n2)cc(OC)c1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.46
ENPP3 O14638 3/20 0.46
ENPP1 P22413 3/20 0.46
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
HSD17B10 Q99714 3/20 0.43
HPGD P15428 3/20 0.43
TSHR P16473 2/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 2/20 0.43
USP2 O75604 1/20 0.43
PIM1 P11309 1/20 0.41
KDM1A O60341 1/20 0.38
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL10429219 0.80 CNR1 (0.46) CNR1KDM4EALDH1A1HSD17B10HPGD
Hydrochloric Acid SCHEMBL10429248 0.78 ENPP3 (0.44) ENPP3ENPP1KDM4EALDH1A1HSD17B10
SCHEMBL10429182 0.77 SREBF2 (0.46) CNR1KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL10429187 0.76 CNR1 (0.49) CNR1PIM1KDM1AMGAMGAA
SCHEMBL9425475 0.76 CNR1 (0.47) CNR1KDM4EALDH1A1HSD17B10TSHR
SCHEMBL6959374 0.73 ALDH1A1 (0.43) KDM4EALDH1A1HSD17B10HPGDTSHR
Hydrochloric Acid SCHEMBL10429250 0.73 ENPP3 (0.44) ENPP3ENPP1KDM4EALDH1A1HSD17B10
SCHEMBL5204211 0.73 BCHE (0.46) BCHESLC6A5
SCHEMBL1608482 0.72 ENPP3 (0.69) ENPP3ENPP1KDM4EALDH1A1HSD17B10
SCHEMBL10429223 0.70 KDM4E (0.48) KDM4EALDH1A1HSD17B10HPGDTSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4966855-A SUBSTITUTED OXAZOLES OR THIAZOLES, FOR DETECTING HYDROGEN PEROXIDE BOEHRINGER MANNHEIM GMBH (DE) 1990-10-30 US disclosed
EP-0167973-B1 REDOX INDICATORS Roche Diagnostics GmbH (DE) 1988-06-22 EP disclosed
EP-0167973-A1 Redox indicators Roche Diagnostics GmbH (DE) 1986-01-15 EP disclosed