SCHEMBL27746696

SCHEMBL27746696

O=C(O)[C@H](Cc1ccccc1)Nc1ccc(F)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.59
PPARG P37231 2/20 0.55
POLB P06746 1/20 0.52
PPARA Q07869 1/20 0.51
GPR34 Q9UPC5 2/20 0.51
FPR2 P25090 8/20 0.50
ITGB1 P05556 2/20 0.49
ITGA4 P13612 2/20 0.49
MME P08473 1/20 0.49
IDO1 P14902 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL27509445 1.00 ALDH1A1 (0.59) ALDH1A1PPARGPOLBPPARAGPR34
SCHEMBL1533645 0.88 PPARG (0.58) PPARGFPR2MMENPSR1
SCHEMBL1533647 0.88 PPARG (0.58) PPARGFPR2MMENPSR1
SCHEMBL6250861 0.88 PPARG (0.58) PPARGFPR2MMENPSR1
SCHEMBL71614 0.87 MME (0.59) PPARGFPR2ITGB1ITGA4MME
SCHEMBL28789647 0.85 PPARG (0.60) PPARGFPR2MMENPSR1
SCHEMBL29166010 0.85 PPARG (0.56) PPARGFPR2ITGB1ITGA4MME
SCHEMBL28789648 0.85 PPARG (0.60) PPARGFPR2MMENPSR1
SCHEMBL7100965 0.84 PPARG (0.55) PPARGFPR2ITGB1ITGA4MME
SCHEMBL9843176 0.84 ADAMTS5 (0.57) PPARGPPARAGPR34FPR2MME

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
CN-101495502-A N-terminally modified GLP-1 receptor modulators BRISTOL MYERS SQUIBB CO (US) 2009-07-29 CN claimed
CN-101282991-A N-terminally modified GLP-1 receptor modulators BRISTOL MYERS SQUIBB CO (US) 2008-10-08 CN claimed
CN-101495502-A N-terminally modified GLP-1 receptor modulators BRISTOL MYERS SQUIBB CO (US) 2009-07-29 CN disclosed
CN-101282991-A N-terminally modified GLP-1 receptor modulators BRISTOL MYERS SQUIBB CO (US) 2008-10-08 CN disclosed