SCHEMBL13812747

SCHEMBL13812747

COc1ccccc1CCOc1cccc(NC(=O)c2cc(F)ccc2O)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ KDM4E B2RXH2 1/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ POLB P06746 1/20 0.48
▸ KCNK3 O14649 3/20 0.48
▸ KCNK9 Q9NPC2 3/20 0.48
▸ FADS1 O60427 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.46
▸ SIRT2 Q8IXJ6 1/20 0.46
▸ MAPT P10636 2/20 0.45
▸ P2RX1 P51575 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MAPK1 P28482 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
SCHEMBL13812739 0.92 SMN1; SMN2 (0.52) SMN1; SMN2KDM4ENPC1RAB9APOLB
SCHEMBL13812750 0.91 FADS1 (0.58) SMN1; SMN2KDM4ENPC1RAB9APOLB
SCHEMBL13812793 0.90 SMN1; SMN2 (0.45) SMN1; SMN2KDM4ENPC1RAB9APOLB
SCHEMBL13812776 0.90 KCNK3 (0.51) SMN1; SMN2KDM4ENPC1RAB9APOLB
SCHEMBL13812765 0.90 KCNK3 (0.55) SMN1; SMN2KDM4ENPC1RAB9APOLB
SCHEMBL13812760 0.89 LRRK2 (0.56) SMN1; SMN2KDM4ENPC1RAB9APOLB
SCHEMBL13812803 0.88 TRPV1 (0.50) SMN1; SMN2KDM4ENPC1RAB9APOLB
SCHEMBL13812936 0.87 FADS1 (0.49) SMN1; SMN2KDM4ENPC1RAB9APOLB
SCHEMBL13812809 0.87 POLB (0.51) SMN1; SMN2KDM4ENPC1RAB9APOLB
SCHEMBL13812938 0.87 GAA (0.47) SMN1; SMN2KDM4ENPC1RAB9APOLB

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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