SCHEMBL6828121

SCHEMBL6828121

Cc1cc(Br)c(CO)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.38
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
RAB9A P51151 1/20 0.32
HPGD P15428 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
ALDH1A1 P00352 1/20 0.31
BCHE P06276 1/20 0.31
CES1 P23141 1/20 0.31
GALR3 O60755 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL3958466 0.88 SHBG (0.39) SHBGALOX15ALOX12MEN1KMT2A
SCHEMBL31413681 0.88 SHBG (0.39) SHBGALOX15ALOX12HPGDPDE4A
SCHEMBL24698730 0.88 SHBG (0.39) SHBGALOX15ALOX12HPGDPDE4A
SCHEMBL1318936 0.86 SHBG (0.42) SHBGALOX15ALOX12MEN1KMT2A
SCHEMBL14924927 0.86 SHBG (0.42) SHBGRAB9AHPGDPDE4APDE4B
SCHEMBL29613199 0.86 SHBG (0.42) SHBGALOX15RAB9AHPGDPDE4A
SCHEMBL17244912 0.86 SHBG (0.42) SHBGALOX15RAB9AHPGDPDE4A
SCHEMBL597251 0.84 PTPN1 (0.36) SHBGALOX15ALOX12PDE4APDE4B
SCHEMBL21757382 0.82 SHBG (0.44) SHBGALOX15ALOX12HPGDMEN1
SCHEMBL21362629 0.80 PGK1 (0.36) SHBGALOX15ALOX12HPGDALDH1A1

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-2004073612-A2 ESTROGEN RECEPTOR MODULATORS MERCK & CO. INC. (US) 2004-09-02 WO disclosed