SCHEMBL11276223

SCHEMBL11276223

CCOC(=O)C(C)(C)C(=O)C(Br)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTR2A P28223 1/20 0.43
KMT2A Q03164 4/20 0.42
BCL9 O00512 1/20 0.42
CTNNB1 P35222 1/20 0.42
MEN1 O00255 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
FBP1 P09467 1/20 0.40
PKM P14618 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40
RAB9A P51151 2/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL11281302 0.84 ALDH1A1 (0.44) MAPTL3MBTL1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL11271227 0.83 ALDH1A1 (0.41) MAPTL3MBTL1HTR2AKMT2AMEN1
SCHEMBL11271870 0.83 ALDH1A1 (0.43) MAPTL3MBTL1HTR2AKMT2AMEN1
SCHEMBL11272661 0.82 PPARA (0.56) MAPTHTR2AKMT2AMEN1SMN1; SMN2
SCHEMBL11285398 0.82 CYP1A2 (0.40) MAPTHTR2AKMT2AMEN1SMN1; SMN2
SCHEMBL11513529 0.82 MAPT (0.50) MAPTHTR2AKMT2ABCL9CTNNB1
SCHEMBL11266219 0.81 MAPT (0.47) MAPTL3MBTL1SMN1; SMN2LMNAPKM
SCHEMBL11539226 0.81 HTR2A (0.43) MAPTCRHBPCRHR2L3MBTL1HTR2A
SCHEMBL11277557 0.80 PPARA (0.53) MAPTHTR2AKMT2AMEN1ALDH1A1
SCHEMBL11271624 0.80 SMN1; SMN2 (0.47) MAPTL3MBTL1HTR2AKMT2AMEN1

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-4331674-A Combating fungi with 4-phenoxy-4-(azolyl-1-yl)-butanoic acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 1982-05-25 US disclosed