SCHEMBL5128416

SCHEMBL5128416

COC(=O)c1ccc(Oc2ccc(CC(=O)OC(C)(C)C)cc2CN(C)S(C)(=O)=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.43
SLC6A2 P23975 5/20 0.43
SLC6A3 Q01959 3/20 0.43
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
HTR2A P28223 1/20 0.38
LPAR1 Q92633 1/20 0.38
LPAR5 Q9H1C0 1/20 0.38
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL5132543 0.90 SLC6A4 (0.40) SLC6A4SLC6A2SLC6A3MTNR1AMTNR1B
SCHEMBL2991813 0.85 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3MTNR1AMTNR1B
SCHEMBL2979962 0.84 LOXL2 (0.46) SLC6A4SLC6A2MTNR1AMTNR1BHTR2A
SCHEMBL5126360 0.83 PPARA (0.49) RAB9AALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL5128413 0.83 MTNR1A (0.39) SLC6A4SLC6A2SLC6A3MTNR1AMTNR1B
SCHEMBL2991810 0.79 KMT2A (0.38) MTNR1AMTNR1BLPAR1LPAR5ALDH1A1
SCHEMBL5130741 0.78 CCR2 (0.40) MTNR1AMTNR1BLPAR1ALDH1A1HPGD
SCHEMBL2984362 0.77 MAPK14 (0.40) MTNR1AMTNR1BLPAR1LPAR5RAB9A
SCHEMBL2979319 0.77 KMT2A (0.48) SLC6A4SLC6A2SLC6A3MTNR1AMTNR1B
SCHEMBL2650122 0.73 LOXL2 (0.54) MTNR1AMTNR1BRAB9AKMT2AMAPT

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