SCHEMBL4671697

SCHEMBL4671697

O=C(O)Cc1cc(CI)cs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.39
RPS6KB2 Q9UBS0 2/20 0.39
DAO P14920 3/20 0.35
AKR1B1 P15121 1/20 0.34
HSD17B10 Q99714 3/20 0.34
GABRA5 P31644 1/20 0.34
GABRB2 P47870 1/20 0.34
POLB P06746 2/20 0.34
HPGD P15428 2/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
RGS12 O14924 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
APEX1 P27695 1/20 0.33
THPO P40225 1/20 0.33
BLM P54132 1/20 0.33
GNAI1 P63096 1/20 0.33

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
SCHEMBL30571177 0.86 RPS6KB2 (0.49) LTB4RRPS6KB2DAOAKR1B1HSD17B10
SCHEMBL5818131 0.81 DAO (0.47) LTB4RRPS6KB2DAOAKR1B1HSD17B10
SCHEMBL4671588 0.81 LTB4R (0.39) LTB4RRPS6KB2DAOAKR1B1HSD17B10
SCHEMBL1246005 0.79 LTB4R (0.44) LTB4RRPS6KB2DAOAKR1B1HSD17B10
SCHEMBL10717559 0.77 LTB4R (0.56) LTB4RRPS6KB2DAOAKR1B1MAPT
SCHEMBL28650107 0.75 LTB4R (0.35) LTB4RRPS6KB2DAOHSD17B10GABRA5
SCHEMBL1492936 0.74 CES2 (0.45) DAOAKR1B1HSD17B10GABRA5GABRB2
SCHEMBL16564282 0.73 DAO (0.56) LTB4RRPS6KB2DAOAKR1B1HSD17B10
SCHEMBL27630654 0.72 KEAP1 (0.45) LTB4RDAOAKR1B1HSD17B10GABRA5
SCHEMBL27809521 0.72 KDM4E (0.41) DAOAKR1B1HSD17B10GABRA5GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100491323-C Biaryloxymethylarenecarboxylic acids compound HOFFMANN LA ROCHE (CH) 2009-05-27 CN disclosed
EP-1663936-B1 BIARYLOXYMETHYLARENE-CARBOXYLIC ACIDS HOFFMANN LA ROCHE (CH) 2008-01-09 EP disclosed
CN-1812956-A Biaryloxymethylarenecarboxylic acids as glycogen synthase activator HOFFMANN LA ROCHE (CH) 2006-08-02 CN disclosed