SCHEMBL6441253

SCHEMBL6441253

CC12COC(CCOc3ccc(Br)cc3)(OC1)OC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DRD4 P21917 2/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
TSHR P16473 1/20 0.38
CHRNA7 P36544 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LTA4H P09960 1/20 0.38
PTGS2 P35354 1/20 0.38
RECQL P46063 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TP53 P04637 1/20 0.37
MAOA P21397 1/20 0.37
CYP2D6 P10635 1/20 0.36
MEN1 O00255 1/20 0.35

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
SCHEMBL6441762 0.92 DRD4 (0.41) MAOBKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL11017880 0.76 L3MBTL1 (0.45) MAOBKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL22780526 0.76 MAOB (0.42) MAOBKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL6436895 0.76 TAAR1 (0.39)
SCHEMBL2312518 0.71 DRD2 (0.40) MAOBKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL20911813 0.71 TSHR (0.43) MAOBKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL6557649 0.69 MAOB (0.57) MAOBKDM4EALDH1A1LMNADRD4
SCHEMBL20912192 0.68 RYR2 (0.48) MAOBKDM4EALDH1A1LMNADRD4
SCHEMBL11742398 0.68 HRH2 (0.39) MAOBKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL15577850 0.67 ACACB (0.45) MAOBKDM4EALDH1A1TSHR

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-1506959-A2 Derivatised molecules for mass spectrometry OXFORD GENE TECHNOLOGY IP LIMITED (GB) 2005-02-16 EP disclosed