SCHEMBL3935196

SCHEMBL3935196

CC(=O)Oc1ccc(C(F)(F)F)cc1Sc1ccc(S(C)(=O)=O)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.51
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SLC6A9 P48067 3/20 0.41
SMO Q99835 1/20 0.40
BRD4 O60885 1/20 0.39
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
BACE1 P56817 1/20 0.38
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
KMT2A Q03164 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
SCHEMBL3937978 0.89 PTGDR2 (0.53) PTGDR2KDM4EUSP2ALDH1A1HPGD
SCHEMBL1333540 0.84 PTGDR2 (0.70) PTGDR2CYP2C19PPARGPPARDPPARA
SCHEMBL1333382 0.83 PTGDR2 (0.57) PTGDR2SLC6A9SMOKCNQ3KCNQ2
SCHEMBL5433357 0.83 PTGDR2 (0.57) PTGDR2SLC6A9SMOKCNQ3KCNQ2
SCHEMBL1331622 0.82 PTGDR2 (0.48) PTGDR2ALDH1A1HPGDCYP2C19HSD17B10
SCHEMBL5390308 0.81 PTGDR2 (0.53) PTGDR2KDM4EUSP2ALDH1A1HPGD
SCHEMBL1332176 0.79 PTGDR2 (0.50) PTGDR2SLC6A9KCNQ3KCNQ2PPARG
SCHEMBL5387505 0.78 PTGDR2 (0.51) PTGDR2KDM4EUSP2ALDH1A1HPGD
SCHEMBL1333608 0.75 PTGDR2 (0.70) PTGDR2PPARGPPARDPPARA
SCHEMBL5984297 0.75 TRPV4 (0.45) PTGDR2KDM4EUSP2ALDH1A1HPGD

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
EP-1660431-B1 PHENOXYACETIC ACID DERIVATIVES ASTRAZENECA AB (SE) 2009-04-01 EP disclosed
EP-1660431-A2 PHENOXYACETIC ACID DERIVATIVES Astrazeneca AB (SE) 2006-05-31 EP disclosed
WO-2005018529-A2 PHENOXIACETIC ACID DERIVATIVES ASTRAZENECA AB (SE) 2005-03-03 WO disclosed