SCHEMBL3267040

SCHEMBL3267040

CC(C)(c1ccc(OCCBr)cc1)c1ccc(OCCBr)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
PSMB1 P20618 1/20 0.53
PSMB5 P28074 1/20 0.53
PSMB2 P49721 1/20 0.53
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
ALDH1A1 P00352 6/20 0.49
TP53 P04637 2/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 2/20 0.49
TSHR P16473 2/20 0.49
HIF1A Q16665 2/20 0.49
CYP1A2 P05177 1/20 0.49
PPARG P37231 1/20 0.49
KDM4E B2RXH2 8/20 0.47
POLB P06746 2/20 0.47
HTT P42858 2/20 0.46
CYP3A4 P08684 1/20 0.44
LMNA P02545 2/20 0.43
TDP1 Q9NUW8 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
SCHEMBL3264835 0.90 SMN1; SMN2 (0.54) SMN1; SMN2PSMB1PSMB5PSMB2MEN1
SCHEMBL10805417 0.88 SMN1; SMN2 (0.53) SMN1; SMN2PSMB1PSMB5PSMB2MEN1
SCHEMBL1586530 0.88 KDM4E (0.54) SMN1; SMN2MEN1KMT2AALDH1A1TP53
SCHEMBL14349534 0.84 SMN1; SMN2 (0.45) SMN1; SMN2PSMB1PSMB5PSMB2MEN1
SCHEMBL18974725 0.83 SMN1; SMN2 (0.49) SMN1; SMN2PSMB1PSMB5PSMB2MEN1
SCHEMBL8140756 0.82 NPC1 (0.47) SMN1; SMN2ALDH1A1MAPT
SCHEMBL84118 0.81 SMN1; SMN2 (0.58) SMN1; SMN2PSMB1PSMB5PSMB2MEN1
SCHEMBL4738149 0.81 SMN1; SMN2 (0.58) SMN1; SMN2PSMB1PSMB5PSMB2MEN1
SCHEMBL4745368 0.81 SMN1; SMN2 (0.62) SMN1; SMN2PSMB1PSMB5PSMB2MEN1
SCHEMBL25316696 0.80 SMN1; SMN2 (0.39) SMN1; SMN2PSMB1PSMB5PSMB2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017216579-A1 AUTOPHAGY INDUCER COMPOUNDS EPSILON-3 BIO LIMITED (GB) 2017-12-21 WO disclosed
EP-2139878-A2 HIGH REFRACTIVE INDEX MONOMERS, COMPOSITIONS AND USES THEREOF BASF SE (DE) 2010-01-06 EP disclosed
WO-2008101806-A2 HIGH REFRACTIVE INDEX MONOMERS, COMPOSITIONS AND USES THEREOF BASF SE (CH) 2008-08-28 WO disclosed
US-20080200582-A1 High refractive index monomers, compositions and uses thereof CIBA CORP. 2008-08-21 US disclosed