SCHEMBL18152277

SCHEMBL18152277

COC(=O)c1ccc(OCCOCc2ccccc2)c(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
ALDH1A1 P00352 1/20 0.51
L3MBTL1 Q9Y468 3/20 0.50
HPGD P15428 2/20 0.49
SMPD1 P17405 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MAPT P10636 3/20 0.47
RAB9A P51151 1/20 0.47
HTT P42858 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
KDM4E B2RXH2 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 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
SCHEMBL382703 0.89 SMPD1 (0.59) LMNAALDH1A1L3MBTL1HPGDSMPD1
SCHEMBL18165179 0.80 KDM4E (0.54) ALDH1A1L3MBTL1HPGDSMPD1MAPT
SCHEMBL24721712 0.80 LMNA (0.58) LMNAALDH1A1L3MBTL1HPGDSMPD1
SCHEMBL18152365 0.80 SYK (0.49) LMNAL3MBTL1HPGDMAPTRAB9A
SCHEMBL25686475 0.79 MAPT (0.75) LMNAALDH1A1L3MBTL1HPGDMAPT
SCHEMBL17488408 0.79 ESR1 (0.47) LMNAALDH1A1L3MBTL1HPGDSMPD1
SCHEMBL18152331 0.79 BCL9 (0.49) LMNAHPGDSMPD1HDAC1HDAC8
SCHEMBL15068193 0.79 NOTUM (0.50) LMNAALDH1A1L3MBTL1HPGDMAPT
SCHEMBL6294921 0.79 THRA (0.51) LMNAALDH1A1L3MBTL1SMPD1MAPT
SCHEMBL14914125 0.78 SMPD1 (0.59) LMNAALDH1A1L3MBTL1HPGDSMPD1

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-2016168524-A1 SUBSTITUTED N-([1,1'-BIPHENYL]-3-YL)-[1,1'-BIPHENYL]-3-CARBOXAMIDE ANALOGS AS INHIBITORS FOR BETA-CATENIN/B-CELL LYMPHOMA 9 INTERACTIONS UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2016-10-20 WO disclosed