SCHEMBL5132540

SCHEMBL5132540

CCS(=O)(=O)NCc1cc(CC(=O)OC(C)(C)C)ccc1Oc1ccc(C(=O)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.39
PTGER2 P43116 1/20 0.39
TSHR P16473 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KMT2A Q03164 1/20 0.37
FABP4 P15090 1/20 0.37
PPARG P37231 4/20 0.36
PPARD Q03181 4/20 0.36
PPARA Q07869 4/20 0.36
LPAR1 Q92633 3/20 0.35
LPAR5 Q9H1C0 3/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.35
PTGDR Q13258 1/20 0.35
SRD5A2 P31213 1/20 0.34

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
SCHEMBL5128413 0.91 MTNR1A (0.39) MTNR1AMTNR1BSLC6A2SLC6A4SLC6A3
SCHEMBL2979319 0.91 KMT2A (0.48) PTGER4PTGER2TSHRMTNR1AMTNR1B
SCHEMBL5126359 0.84 PPARA (0.47) PPARGPPARDPPARAPTGDR2PTGDR
SCHEMBL2991813 0.82 SLC6A4 (0.48) MTNR1AMTNR1BSLC6A2SLC6A4SLC6A3
SCHEMBL5132543 0.81 SLC6A4 (0.40) MTNR1AMTNR1BSLC6A2SLC6A4SLC6A3
SCHEMBL2975710 0.75 LMNA (0.46) SLC6A2SLC6A4SLC6A3KMT2APTGDR2
SCHEMBL2990233 0.75 LPAR1 (0.49) PTGER4PTGER2MTNR1AMTNR1BLPAR1
SCHEMBL2979962 0.74 LOXL2 (0.46) MTNR1AMTNR1BSLC6A2SLC6A4KMT2A
SCHEMBL5128416 0.74 SLC6A4 (0.43) MTNR1AMTNR1BSLC6A2SLC6A4SLC6A3
SCHEMBL2983606 0.72 PPARA (0.49) PPARGPPARDPPARAPTGDR2PTGDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492437-B2 4-substituted phenoxyphenylacetic acid derivatives ARRAY BIOPHARMA INC. (US) 2013-07-23 US disclosed
EP-2057115-B9 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES ARRAY BIOPHARMA INC (US) 2012-12-26 EP disclosed
EP-2057115-B1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES ARRAY BIOPHARMA INC (US) 2012-10-03 EP disclosed
US-8183289-B2 4-substituted phenoxyphenylacetic acid derivatives ARRAY BIOPHARMA INC. (US) 2012-05-22 US disclosed