SCHEMBL10429201

SCHEMBL10429201

COc1cc(C(=O)C(O)c2cc(OC)c(OCc3ccccc3)c(OC)c2)cc(OC)c1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 3/20 0.50
HPGD P15428 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SMPD1 P17405 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
LMNA P02545 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MRGPRX4 Q96LA9 1/20 0.46
RXRA P19793 1/20 0.46
GLRA1 P23415 1/20 0.45
ATM Q13315 1/20 0.45
KDM4E B2RXH2 1/20 0.44
TNFRSF1A P19438 1/20 0.44

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
SCHEMBL18040335 0.85 LMNA (0.50) HPGDNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL18040336 0.85 LMNA (0.50) HPGDNPC1RAB9ASMN1; SMN2SMPD1
SCHEMBL10920362 0.83 HPGD (0.50) SLC6A5HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL2317454 0.82 RXRA (0.61) SLC6A5HPGDNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL16143333 0.81 RXRA (0.60) SLC6A5HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL29085939 0.80 AKR1C3 (0.49) SLC6A5HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL7237622 0.80 ALDH1A1 (0.63) SLC6A5HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL7082122 0.80 KDM4E (0.64) SLC6A5HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL10429197 0.80 GLRA1 (0.64) SLC6A5HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL15673277 0.80 RXRA (0.62) SLC6A5HPGDNPC1RAB9ASMN1; SMN2

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 2 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