SCHEMBL13812936

SCHEMBL13812936

COc1ccc(-c2ccc(O)c(C(=O)Nc3cccc(OCCc4ccccc4OC)c3)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FADS1 O60427 2/20 0.49
▸ POLB P06746 2/20 0.48
▸ NPC1 O15118 6/20 0.47
▸ RAB9A P51151 6/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ TP53 P04637 2/20 0.47
▸ TRPV1 Q8NER1 1/20 0.47
▸ ADORA3 P0DMS8 1/20 0.47
▸ TNIK Q9UKE5 1/20 0.46
▸ KCNK3 O14649 2/20 0.46
▸ KCNK9 Q9NPC2 2/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ CASP3 P42574 1/20 0.45
▸ SENP7 Q9BQF6 1/20 0.45
▸ SENP6 Q9GZR1 1/20 0.45

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
SCHEMBL13812803 0.95 TRPV1 (0.50) FADS1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL13812809 0.94 POLB (0.51) FADS1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL13812934 0.94 KCNK3 (0.47) FADS1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL13812948 0.93 FADS1 (0.50) FADS1POLBTRPV1KCNK3KCNK9
SCHEMBL13812750 0.92 FADS1 (0.58) FADS1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL13812942 0.92 POLB (0.50) FADS1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL13812938 0.91 GAA (0.47) FADS1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL13812935 0.90 FADS1 (0.47) FADS1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL13812946 0.90 FADS1 (0.54) FADS1POLBNPC1RAB9AKCNK3
SCHEMBL13812944 0.88 KCNK3 (0.45) FADS1POLBNPC1RAB9ASMN1; 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-7547804-B2 Compounds, compositions, and methods employing same MYRIAD GENETICS, INC. (US) 2009-06-16 — — US disclosed
US-7547804-B2 Compounds, compositions, and methods employing same MYRIAD GENETICS, INC. (US) 2009-06-16 — — US disclosed
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