SCHEMBL11536451

SCHEMBL11536451

CC(=O)OCC(C)(C)C(=O)C(Br)Oc1ccc(C)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.35
NPC1 O15118 1/20 0.35
ATM Q13315 1/20 0.34
MAPT P10636 3/20 0.34
KMT2A Q03164 3/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 2/20 0.33
RAB9A P51151 1/20 0.33
NPY1R P25929 1/20 0.33
NPY2R P49146 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
ABCB1 P08183 1/20 0.33

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
SCHEMBL11535939 0.86 HPGD (0.37) TDP1L3MBTL1MAPTHPGD
SCHEMBL11534936 0.84 MTNR1A (0.40) SMN1; SMN2TDP1KMT2ARAB9APPARG
SCHEMBL11538100 0.84 LDHA (0.41) SMN1; SMN2TDP1L3MBTL1MAPTKMT2A
SCHEMBL11461141 0.83 PPARA (0.40) MAPTKMT2AMEN1PPARGPPARA
SCHEMBL11541934 0.83 ALDH1A1 (0.38) SMN1; SMN2MAPTKMT2APPARGPPARA
SCHEMBL11396248 0.82 SMN1; SMN2 (0.46) SMN1; SMN2TDP1L3MBTL1NPC1ATM
SCHEMBL11539088 0.81 CYP1A2 (0.44) SMN1; SMN2NPC1MAPTRAB9APPARG
SCHEMBL11271624 0.80 SMN1; SMN2 (0.47) SMN1; SMN2TDP1L3MBTL1NPC1ATM
SCHEMBL11539219 0.80 MAPT (0.41) SMN1; SMN2MAPTKMT2AMEN1RAB9A
SCHEMBL11537963 0.80 PPARA (0.39) L3MBTL1MAPTKMT2AMEN1PPARG

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-4154842-A Fungicidally and bactericidally active 1-azolyl-4-hydroxy-1-phenoxy-butane derivatives BAYER AKTIENGESELLSCHAFT (DE) 1979-05-15 US disclosed