SCHEMBL7415359

SCHEMBL7415359

CC(C)C(=O)c1ccc(OCCCCl)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.53
GAA P10253 1/20 0.51
MAPK1 P28482 2/20 0.50
RARB P10826 1/20 0.48
MAPT P10636 3/20 0.47
TSHR P16473 2/20 0.46
TP53 P04637 1/20 0.46
PLA2G4B P0C869 2/20 0.45
SLC2A1 P11166 1/20 0.45
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PKM P14618 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
SCHEMBL9378715 0.88 TSHR (0.60) L3MBTL1GAARARBTSHRTP53
SCHEMBL6642095 0.87 L3MBTL1 (0.50) L3MBTL1GAAMAPK1RARBMAPT
SCHEMBL19130182 0.85 TP53 (0.66) L3MBTL1RARBTSHRTP53PLA2G4B
SCHEMBL11680771 0.84 L3MBTL1 (0.60) L3MBTL1MAPK1MAPTTSHRTP53
SCHEMBL99263 0.84 GAA (0.57) L3MBTL1GAAMAPK1RARBMAPT
SCHEMBL19130183 0.83 TP53 (0.69) GAARARBTSHRTP53PLA2G4B
SCHEMBL7909288 0.83 RARB (0.63) L3MBTL1RARBTSHRTP53PLA2G4B
SCHEMBL13385664 0.83 TP53 (0.69) GAARARBTSHRTP53PLA2G4B
SCHEMBL19130711 0.83 TP53 (0.69) GAARARBTSHRTP53PLA2G4B
Water SCHEMBL20916139 0.83 GAA (0.56) L3MBTL1GAAMAPK1RARBMAPT

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-5198449-A N-substituted alpha-arylazacycloalkylmethanamines and their use as cardiovascular agents A. H. ROBINS COMPANY INCORPORATED (US) 1993-03-30 US disclosed