SCHEMBL11268090

SCHEMBL11268090

COc1ccc(C)cc1C(O)(c1cc(C(C)C)c(OCc2ccccc2)c(C(C)C)c1)C(C)N1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GLRA1 P23415 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
APP P05067 5/20 0.37
ADRB2 P07550 1/20 0.35
SCN9A Q15858 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
ALOX12 P18054 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL11259609 0.73 MEN1 (0.41) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL11264980 0.72 MEN1 (0.41) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL11258699 0.68 GLRA1 (0.61) GLRA1MEN1KMT2AKDM4EALDH1A1
SCHEMBL11260709 0.66 KCNA5 (0.36) MEN1KMT2AKDM4EALDH1A1
SCHEMBL16860701 0.65 GLRA1 (0.73) GLRA1NPC1RAB9AMEN1KMT2A
SCHEMBL11253547 0.65 HTT (0.36) MEN1KMT2AALDH1A1TP53MAPT
SCHEMBL11258936 0.65 KCNA5 (0.33) MEN1KMT2A
SCHEMBL13957662 0.64 MAPT (0.50) GLRA1RAB9AMEN1KMT2AALDH1A1
SCHEMBL11259393 0.64 ALDH1A1 (0.37) RAB9AKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL11258069 0.63 KCNA5 (0.39) MEN1KMT2AKDM4EALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4361573-A α,α-Diaryl-β-(tert-amino)-propanols and diuretic pharmaceutical compositions containing them TEMMLER AG (CH) 1982-11-30 US claimed