SCHEMBL13812954

SCHEMBL13812954

COc1cccc(-c2cc(F)c(O)c(C(=O)Nc3cccc(OCCc4ccccc4OC)c3)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.51
▸ NPC1 O15118 3/20 0.51
▸ POLB P06746 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ TP53 P04637 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ PKM P14618 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ DHODH Q02127 2/20 0.45
▸ TRPV1 Q8NER1 1/20 0.44
▸ NR1H4 Q96RI1 1/20 0.44
▸ TNIK Q9UKE5 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SIRT2 Q8IXJ6 1/20 0.43
▸ HPGD P15428 1/20 0.43

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
SCHEMBL13812809 0.87 POLB (0.51) RAB9ANPC1POLBKDM4EGAA
SCHEMBL13812950 0.87 RAB9A (0.58) RAB9ANPC1POLBKDM4ETP53
SCHEMBL13812940 0.86 LRRK2 (0.48) RAB9ANPC1POLBKDM4ETP53
SCHEMBL13812742 0.83 KCNK3 (0.56) RAB9ANPC1POLBKDM4ETP53
SCHEMBL13812803 0.83 TRPV1 (0.50) RAB9ANPC1POLBKDM4EGAA
SCHEMBL13812936 0.82 FADS1 (0.49) RAB9ANPC1POLBKDM4EGAA
SCHEMBL13812792 0.82 GAA (0.60) RAB9ANPC1POLBKDM4EGAA
SCHEMBL13812750 0.81 FADS1 (0.58) RAB9ANPC1POLBKDM4EGAA
SCHEMBL13812746 0.81 POLB (0.55) RAB9ANPC1POLBGAATP53
SCHEMBL13812739 0.81 SMN1; SMN2 (0.52) RAB9ANPC1POLBKDM4ETP53

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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