SCHEMBL5130741

SCHEMBL5130741

CN(Cc1cc(CC(=O)OC(C)(C)C)ccc1Oc1ccccc1C(=O)O)S(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 6/20 0.40
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 4/20 0.34
HSD17B10 Q99714 3/20 0.34
CYP1A2 P05177 2/20 0.34
MEN1 O00255 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
LPAR1 Q92633 3/20 0.34
LPAR3 Q9UBY5 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ESR1 P03372 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
HMGB1 P09429 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
GGT1 P19440 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
SCHEMBL5132543 0.83 SLC6A4 (0.40) MTNR1AMTNR1BLPAR1
SCHEMBL5128416 0.78 SLC6A4 (0.43) MTNR1AMTNR1BKMT2ALPAR1ALDH1A1
SCHEMBL5665149 0.73 CCR2 (0.56) CCR2KDM4ECYP1A2ALDH1A1CYP2C9
SCHEMBL3437042 0.69 KDM4E (0.48) HTTKDM4EHSD17B10CYP1A2KMT2A
SCHEMBL31135570 0.69 MTNR1A (0.56) MTNR1AMTNR1BHTTKDM4ECYP1A2
SCHEMBL26102140 0.69 MTNR1A (0.56) MTNR1AMTNR1BHTTKDM4ECYP1A2
SCHEMBL28629032 0.67 ALDH1A1 (0.47) MTNR1AMTNR1BKDM4EHSD17B10ALDH1A1
SCHEMBL6471833 0.67 MTNR1A (0.45) MTNR1AMTNR1BHTTKDM4EHSD17B10
SCHEMBL27568865 0.67 HTT (0.60) CCR2HTTKDM4EHSD17B10CYP1A2
SCHEMBL28383724 0.66 SERPINE1 (0.40) CCR2HTTKDM4EMEN1RECQL

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-8183289-B2 4-substituted phenoxyphenylacetic acid derivatives ARRAY BIOPHARMA INC. (US) 2012-05-22 US disclosed