SCHEMBL16549448

SCHEMBL16549448

COc1cc(-c2oc3c(OC)c(OC)cc(OC)c3c(=O)c2OC)cc(C)c1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCL9 O00512 10/20 0.57
▸ CTNNB1 P35222 10/20 0.57
▸ ADORA3 P0DMS8 1/20 0.55
▸ ABCB1 P08183 1/20 0.55
▸ ABCG2 Q9UNQ0 1/20 0.55
▸ ALOX5 P09917 3/20 0.55
▸ ALDH1A1 P00352 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ TUBB4A P04350 1/20 0.50
▸ TUBB P07437 1/20 0.50
▸ TUBA3C P0DPH7 1/20 0.50
▸ TUBA1B P68363 1/20 0.50
▸ TUBA4A P68366 1/20 0.50
▸ TUBB4B P68371 1/20 0.50
▸ TUBB3 Q13509 1/20 0.50
▸ TUBB2A Q13885 1/20 0.50
▸ TUBB8 Q3ZCM7 1/20 0.50

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
SCHEMBL16894627 0.92 ADORA3 (0.64) BCL9CTNNB1ADORA3ABCB1ABCG2
SCHEMBL988273 0.84 ABCB1 (0.78) BCL9CTNNB1ABCB1ABCG2ALOX5
SCHEMBL31065460 0.82 ALDH1A1 (0.68) BCL9CTNNB1ADORA3ABCB1ABCG2
SCHEMBL8418523 0.80 ABCB1 (0.77) BCL9CTNNB1ADORA3ABCB1ABCG2
SCHEMBL16894634 0.78 ABCB1 (0.51) BCL9CTNNB1ADORA3ABCB1ABCG2
SCHEMBL9063848 0.75 CYP1A1 (0.58) BCL9CTNNB1ABCB1ABCG2ALOX5
SCHEMBL30669273 0.75 CYP1A1 (0.58) BCL9CTNNB1ABCB1ABCG2ALOX5
SCHEMBL13445816 0.74 KDM4E (0.68) BCL9CTNNB1ABCB1ABCG2ALDH1A1
SCHEMBL25221318 0.73 ABCG2 (0.78) BCL9CTNNB1ABCB1ABCG2ALDH1A1
SCHEMBL1764425 0.73 KDM4E (0.74) BCL9CTNNB1ABCB1ABCG2ALOX5

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-9382339-B2 Microwave assisted citrus waste biorefinery UNIVERSITY OF YORK (GB) 2016-07-05 — — US disclosed
US-20150065698-A1 MICROWAVE ASSISTED CITRUS WASTE BIOREFINERY UNIVERSITY OF YORK (GB) 2015-03-05 — — US disclosed
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