SCHEMBL5666233

SCHEMBL5666233

Cc1c[c]cc(C)c1OCc1cccc(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 14/20 0.54
IDO1 P14902 2/20 0.49
AGXT P21549 2/20 0.49
ESR1 P03372 1/20 0.47
NR3C1 P04150 1/20 0.47
PGR P06401 1/20 0.47
NR3C2 P08235 1/20 0.47
AR P10275 1/20 0.47
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
MAOA P21397 5/20 0.44
PARP15 Q460N3 1/20 0.43
PARP14 Q460N5 1/20 0.43
PARP10 Q53GL7 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL4304771 0.81 KDM4E (0.52) MAOBIDO1AGXTTHRATHRB
SCHEMBL2767880 0.80 L3MBTL1 (0.48) MAOBALDH1A1SMN1; SMN2
SCHEMBL12440955 0.79 MAOB (0.56) MAOBIDO1AGXTESR1NR3C1
SCHEMBL12440978 0.77 THRA (0.56) MAOBIDO1AGXTESR1NR3C1
SCHEMBL4897075 0.76 THRA (0.57) MAOBESR1NR3C1PGRNR3C2
SCHEMBL4896813 0.75 MAOB (0.53) MAOBESR1NR3C1PGRNR3C2
SCHEMBL3762036 0.74 HTR1A (0.49) MAOBIDO1MAOA
SCHEMBL9893995 0.73 MAOB (0.51) MAOBIDO1AGXTESR1NR3C1
SCHEMBL3320563 0.72 MAOB (0.69) MAOBIDO1AGXTMAOAPARP15
SCHEMBL13429949 0.72 MAOB (0.51) MAOBIDO1AGXTESR1NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1729756-A2 NOVEL PHARMACEUTICAL COMPOSITIONS KARO BIO AB (SE) 2006-12-13 EP disclosed
WO-2005094810-A2 NOVEL PHARMACEUTICAL COMPOSITIONS KARO BIO AB (SE) 2005-10-13 WO disclosed