SCHEMBL16348358

SCHEMBL16348358

CCn1ccc(-c2cc(Br)ccc2O)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.46
HPGD P15428 5/20 0.40
KDM4E B2RXH2 2/20 0.40
TSHR P16473 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
IDO1 P14902 1/20 0.39
JMJD6 Q6NYC1 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
MAPT P10636 5/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.37
GLA P06280 1/20 0.37

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
SCHEMBL13523181 0.82 IDO1 (0.44) HPGDKDM4ETSHRIDO1JMJD6
SCHEMBL8005007 0.74 MAPT (0.41) HPGDKDM4EJMJD6SMN1; SMN2NPC1
SCHEMBL29790468 0.71 ADRA1A (0.47) KDM4EIDO1JMJD6SMN1; SMN2NPC1
SCHEMBL16911568 0.71 ACSS2 (0.47) JMJD6SMN1; SMN2NPC1KMT2AMEN1
SCHEMBL21051373 0.70 ACSS2 (0.43) GFERHPGDKDM4ETSHRJMJD6
SCHEMBL23923765 0.70 JMJD6 (0.44) KDM4EJMJD6SMN1; SMN2NPC1GAA
SCHEMBL2050729 0.69 JMJD6 (0.37) HPGDKDM4EJMJD6SMN1; SMN2NPC1
SCHEMBL6448325 0.68 MAPT (0.38) GFERHPGDKDM4ETSHRAPOBEC3G
SCHEMBL6449954 0.68 GRM5 (0.46) GFERHPGDKDM4ETSHRAPOBEC3G
SCHEMBL8743338 0.68 ALOX15 (0.62) GFERHPGDKDM4ETSHRAPOBEC3G

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
US-7642358-B2 Substituted phenylacetic acids METABOLEX, INC. (US) 2010-01-05 US disclosed
US-7642358-B2 Substituted phenylacetic acids METABOLEX, INC. (US) 2010-01-05 US disclosed