SCHEMBL13812952

SCHEMBL13812952

COc1ccccc1CCOc1cccc(NC(=O)c2cc(Cl)c(F)cc2O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ KDM4E B2RXH2 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ SIRT2 Q8IXJ6 2/20 0.45
▸ PPARG P37231 1/20 0.45
▸ KCNK3 O14649 3/20 0.45
▸ KCNK9 Q9NPC2 3/20 0.45
▸ HDAC3 O15379 1/20 0.44
▸ EGFR P00533 1/20 0.44
▸ HDAC4 P56524 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC7 Q8WUI4 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC10 Q969S8 1/20 0.44
▸ HDAC11 Q96DB2 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44

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
SCHEMBL13812747 0.87 SMN1; SMN2 (0.52) NPC1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL13812739 0.87 SMN1; SMN2 (0.52) NPC1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL13812950 0.85 RAB9A (0.58) NPC1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL13812765 0.84 KCNK3 (0.55) NPC1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL13812935 0.84 FADS1 (0.47) NPC1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL13812746 0.84 POLB (0.55) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL13812750 0.84 FADS1 (0.58) NPC1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL13812742 0.83 KCNK3 (0.56) NPC1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL13812947 0.83 SIRT2 (0.47) NPC1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL13812776 0.83 KCNK3 (0.51) NPC1RAB9AKDM4ESMN1; SMN2POLB

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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