SCHEMBL11097033

SCHEMBL11097033

CCOC(=O)Cc1cccc(Oc2ccc(Cl)cc2Cl)c1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.54
SLC6A2 P23975 4/20 0.46
SLC6A4 P31645 4/20 0.46
SLC6A3 Q01959 4/20 0.46
CYP2C9 P11712 1/20 0.45
MRGPRX4 Q96LA9 3/20 0.44
GAA P10253 2/20 0.43
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
TSHR P16473 1/20 0.41
KCNH2 Q12809 1/20 0.41
TTR P02766 1/20 0.40

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
SCHEMBL11087906 0.88 CXCL8 (0.51) CHRM1SLC6A2SLC6A4SLC6A3CYP2C9
SCHEMBL11084291 0.85 SLC6A4 (0.47) SLC6A2SLC6A4SLC6A3CYP2C9L3MBTL1
SCHEMBL11087036 0.84 HTR2A (0.43) SLC6A2SLC6A4SLC6A3ALDH1A1MAPT
SCHEMBL11091135 0.84 CXCL8 (0.41) SLC6A3CYP2C9GAAALDH1A1L3MBTL1
SCHEMBL11089474 0.84 CHRM1 (0.76) CHRM1SLC6A2SLC6A4SLC6A3CYP2C9
SCHEMBL11085687 0.83 DHFR (0.38) SLC6A2SLC6A4SLC6A3ALDH1A1MAPT
SCHEMBL11093624 0.82 CHRM1 (0.50) CHRM1SLC6A2SLC6A4SLC6A3MRGPRX4
SCHEMBL11094498 0.82 CHRM1 (0.57) CHRM1SLC6A2SLC6A4SLC6A3CYP2C9
SCHEMBL11094079 0.81 CYP3A4 (0.50) SLC6A2SLC6A4SLC6A3ALDH1A1KCNH2
SCHEMBL11089498 0.80 TBXAS1 (0.45) ALDH1A1MAPTTDP1

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
US-4472433-A Phenoxyphenyl acetic acids and their medicinal use FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-09-18 US disclosed
EP-0008226-B1 PHENYL-ALKANOIC ACID DERIVATIVES, THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-11-02 EP disclosed
EP-0008226-A2 Phenyl-alkanoic acid derivatives, the preparation thereof and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-02-20 EP disclosed