SCHEMBL13812942

SCHEMBL13812942

COc1ccccc1CCOc1cccc(NC(=O)c2cc(-c3ccc4ccccc4c3)ccc2O)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.50
▸ TNIK Q9UKE5 1/20 0.47
▸ NPC1 O15118 6/20 0.46
▸ RAB9A P51151 6/20 0.46
▸ MEN1 O00255 6/20 0.46
▸ KMT2A Q03164 6/20 0.46
▸ KCNK3 O14649 3/20 0.45
▸ KCNK9 Q9NPC2 3/20 0.45
▸ SIRT2 Q8IXJ6 1/20 0.45
▸ FADS1 O60427 2/20 0.44
▸ TP53 P04637 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ PLAU P00749 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ SENP6 Q9GZR1 1/20 0.42

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 0.93 TRPV1 (0.50) POLBTNIKNPC1RAB9AMEN1
SCHEMBL13812809 0.92 POLB (0.51) POLBTNIKNPC1RAB9AMEN1
SCHEMBL13812936 0.92 FADS1 (0.49) POLBTNIKNPC1RAB9AMEN1
SCHEMBL13812934 0.91 KCNK3 (0.47) POLBTNIKNPC1RAB9AMEN1
SCHEMBL13812948 0.90 FADS1 (0.50) POLBMEN1KMT2AKCNK3KCNK9
SCHEMBL13812938 0.90 GAA (0.47) POLBNPC1RAB9AMEN1KMT2A
SCHEMBL13812944 0.89 KCNK3 (0.45) POLBTNIKNPC1RAB9AKCNK3
SCHEMBL13812932 0.89 MCL1 (0.48) POLBTNIKNPC1RAB9AMEN1
SCHEMBL13812935 0.89 FADS1 (0.47) POLBTNIKNPC1RAB9AMEN1
SCHEMBL13812946 0.89 FADS1 (0.54) POLBNPC1RAB9AMEN1KMT2A

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
Send feedback