SCHEMBL11040306

SCHEMBL11040306

CC(=O)c1cc(Cl)c(N2CCCCC2)cc1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.46
MAOB P27338 1/20 0.46
HPGD P15428 1/20 0.46
HRH3 Q9Y5N1 6/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LRRK2 Q5S007 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GRM5 P41594 1/20 0.43
MET P08581 2/20 0.43
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL384030 0.80 MAOB (0.57) MAOBHPGDMEN1KMT2ASMN1; SMN2
SCHEMBL11040385 0.79 HPGD (0.39) HPGDHRH3MEN1KMT2AMAPT
SCHEMBL10984547 0.79 ABCB1 (0.41) ABCB1MAOBMEN1KMT2ASMN1; SMN2
SCHEMBL10986476 0.79 S1PR1 (0.48) MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL11043402 0.78 TSHR (0.43) ABCB1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL6448598 0.78 SMN1; SMN2 (0.56) MAOBHPGDMEN1KMT2ASMN1; SMN2
SCHEMBL5530918 0.77 MEN1 (0.53) MAOBMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL23173884 0.77 MAOB (0.53) MAOBHPGDMEN1KMT2ASMN1; SMN2
SCHEMBL22918087 0.77 MAOB (0.53) MAOBMEN1KMT2ALRRK2SMN1; SMN2
SCHEMBL29660966 0.77 MAOB (0.53) MAOBMEN1KMT2ALRRK2SMN1; SMN2

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
EP-0107620-A1 Phenol derivatives CIBA-GEIGY AG (CH) 1984-05-02 EP disclosed