SCHEMBL16359653

SCHEMBL16359653

CCc1ccc(C(=O)c2cc(Br)ccc2CO)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
HTT P42858 3/20 0.51
CCR9 P51686 1/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 4/20 0.43
POLB P06746 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
RECQL P46063 1/20 0.43
CCR6 P51684 1/20 0.43
KCNH2 Q12809 1/20 0.43
PLK1 P53350 1/20 0.42
CYP19A1 P11511 1/20 0.41
PTGES O14684 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
SCHEMBL12290954 0.81 MAPT (0.52) MAPTSMN1; SMN2HTTCCR9RAB9A
SCHEMBL4844927 0.81 MAPT (0.70) MAPTSMN1; SMN2HTTCCR9RAB9A
SCHEMBL48235 0.81 MAPT (0.52) MAPTSMN1; SMN2HTTCCR9RAB9A
SCHEMBL8011466 0.78 MAPT (0.50) MAPTSMN1; SMN2HTTCCR9RAB9A
SCHEMBL28400194 0.77 HTT (0.67) MAPTSMN1; SMN2HTTRAB9AALDH1A1
SCHEMBL12291074 0.75 MAPT (0.47) MAPTSMN1; SMN2HTTCCR9RAB9A
SCHEMBL24102358 0.74 DGAT1 (0.52) MAPTSMN1; SMN2ALDH1A1POLBKDM4E
SCHEMBL7662781 0.73 NR4A2 (0.49) MAPTSMN1; SMN2HTTRAB9AALDH1A1
SCHEMBL1255660 0.73 PTGS2 (0.51) MAPTSMN1; SMN2HTTALDH1A1KDM4E
SCHEMBL29709928 0.73 PTGS2 (0.51) MAPTSMN1; SMN2HTTALDH1A1KDM4E

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
WO-2011107494-A1 NOVEL AROMATIC GLYCOSIDE DERIVATIVES, MEDICAMENTS CONTAINING SAID COMPOUNDS, AND THE USE THEREOF SANOFI (FR) 2011-09-09 WO disclosed