SCHEMBL22874472

SCHEMBL22874472

COc1ccc(-c2cccc(-c3ccc4c(c3)oc3ccccc34)c2)c2c1B1c3c(cccc3Oc3c(-c4cccc(-c5ccc6c(c5)oc5ccccc56)c4)ccc(OC)c31)O2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.39
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
ABCG2 Q9UNQ0 2/20 0.39
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
CYP3A4 P08684 3/20 0.38
HPGD P15428 3/20 0.38
MAPT P10636 2/20 0.38
HSD17B10 Q99714 2/20 0.38
LMNA P02545 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
TP53 P04637 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
GLA P06280 1/20 0.38
ABCB1 P08183 1/20 0.38
THRB P10828 1/20 0.38
MAPK1 P28482 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
SCHEMBL22874264 0.82 PLA2G2A (0.38) NPC1KMT2AMEN1KDM4EALDH1A1
SCHEMBL21302912 0.82 PLA2G2A (0.38) NPC1KMT2AMEN1KDM4EALDH1A1
SCHEMBL22874469 0.77 NPC1 (0.35) NPC1MAPTLMNACA1CA2
SCHEMBL21793582 0.75 AHR (0.35) NPC1KMT2AMEN1KDM4EALDH1A1
SCHEMBL21983014 0.74 MAPT (0.39) NPC1KMT2AMEN1KDM4EALDH1A1
SCHEMBL24002699 0.74 ALOX5 (0.36) NPC1KMT2AMEN1KDM4EALDH1A1
SCHEMBL24307161 0.74 AHR (0.41) NPC1KMT2AMEN1KDM4EALDH1A1
SCHEMBL12203169 0.71 L3MBTL1 (0.53) NPC1KMT2AMEN1ABCG2KDM4E
SCHEMBL15315627 0.70 AHR (0.57) NPC1KMT2AMEN1ABCG2KDM4E
SCHEMBL15315624 0.70 AHR (0.57) NPC1KMT2AMEN1ABCG2KDM4E

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-20210008872-A1 COMPOSITION FOR ELECTRONIC DEVICES, INK FOR ELECTRONIC DEVICES, AND METHOD FOR PRODUCING ELECTRONIC DEVICE Konica Minolta, Inc. (JP) 2021-01-14 US disclosed