SCHEMBL2392953

SCHEMBL2392953

CCC(Sc1ccc(Cl)cc1Oc1ccc(S(=O)(=O)CC)cc1Cl)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 14/20 0.47
MCL1 Q07820 1/20 0.37
POLB P06746 1/20 0.37
TTR P02766 1/20 0.37
CHRM1 P11229 1/20 0.37
FFAR1 O14842 1/20 0.36
PTGES O14684 1/20 0.36

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
SCHEMBL2395258 0.82 PTGDR2 (0.43) PTGDR2POLB
SCHEMBL27849060 0.82 PTGDR2 (0.47) PTGDR2MCL1TTRCHRM1
SCHEMBL2398768 0.82 PTGDR2 (0.55) PTGDR2MCL1POLBTTRCHRM1
SCHEMBL1331643 0.80 PTGDR2 (0.54) PTGDR2POLB
SCHEMBL1333653 0.78 PTGDR2 (0.58) PTGDR2MCL1TTR
SCHEMBL27849129 0.78 PTGDR2 (0.51) PTGDR2MCL1TTRCHRM1FFAR1
SCHEMBL28330663 0.78 PTGDR2 (0.58) PTGDR2MCL1TTR
SCHEMBL27849058 0.77 ALDH1A1 (0.47) PTGDR2
SCHEMBL1333658 0.76 PTGDR2 (0.52) PTGDR2MCL1POLBTTR
SCHEMBL1332548 0.76 PTGDR2 (0.71) PTGDR2

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
US-8022248-B2 3-[2-(3-Cyanophenoxy)-4-(trifluoromethyl)phenyl]propanoic acid;prostaglandin D2 inhibitor, orphan receptor CRTH2 antagonist; antiinflammatory, analgesic, antipyretic; respiratory system disorders: asthma and rhinitis; coupling amino/thio-phenyl derivatives with ester followed by hydrolysis to acid ASTRAZENECA AB (SE) 2011-09-20 US disclosed