SCHEMBL11657461

SCHEMBL11657461

COc1cc(OCCOc2ccccc2)c2c(=O)cc(-c3ccccc3)oc2c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.75
ABCG2 Q9UNQ0 3/20 0.75
ALDH1A1 P00352 3/20 0.75
NPC1 O15118 2/20 0.75
MEN1 O00255 2/20 0.75
KMT2A Q03164 2/20 0.75
RAB9A P51151 1/20 0.75
CYP3A4 P08684 4/20 0.64
MAPT P10636 4/20 0.64
TP53 P04637 2/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
ABCB1 P08183 4/20 0.62
CYP2C9 P11712 3/20 0.62
CYP2C19 P33261 3/20 0.62
TSHR P16473 1/20 0.62
MAOB P27338 4/20 0.60
HPGD P15428 3/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
AR P10275 1/20 0.60
HSD17B10 Q99714 1/20 0.60

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
Chrysin Dimethyl Ether SCHEMBL29403280 0.86 ABCG2 (1.00) KDM4EABCG2ALDH1A1NPC1MEN1
Chrysin Dimethyl Ether SCHEMBL1676012 0.86 ABCG2 (1.00) KDM4EABCG2ALDH1A1NPC1MEN1
SCHEMBL11656201 0.85 AR (0.65) KDM4EABCG2ALDH1A1NPC1MEN1
SCHEMBL17193761 0.81 ABCB1 (0.73) KDM4EABCG2ALDH1A1NPC1MEN1
SCHEMBL17193741 0.81 MAOB (0.81) KDM4EABCG2ALDH1A1NPC1MEN1
SCHEMBL31238392 0.81 KDM4E (0.83) KDM4EABCG2ALDH1A1NPC1MEN1
SCHEMBL29979584 0.81 L3MBTL1 (0.79) KDM4EABCG2ALDH1A1NPC1MEN1
SCHEMBL17185524 0.80 ABCB1 (0.75) KDM4EABCG2ALDH1A1NPC1MEN1
SCHEMBL17185533 0.80 ABCB1 (0.75) KDM4EABCG2ALDH1A1NPC1MEN1
SCHEMBL17185542 0.80 ABCB1 (0.75) KDM4EABCG2ALDH1A1NPC1MEN1

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-4105781-A ANTIALLERGENS FOR TREATMENT OF ASTHMA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1978-08-08 US disclosed
US-4049664-A ANTIALLERGENS, ANTIASTHMATICS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1977-09-20 US disclosed
US-3965122-A ANTIALLERGENS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-06-22 US disclosed