SCHEMBL3354489

SCHEMBL3354489

COc1ccc(COc2c(F)cc(C(=O)O)cc2Br)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.57
RAB9A P51151 2/20 0.57
NPC1 O15118 1/20 0.57
POLB P06746 1/20 0.57
PLA2G4B P0C869 1/20 0.51
TP53 P04637 1/20 0.49
PKM P14618 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
RXRA P19793 2/20 0.47
RXRB P28702 2/20 0.47
NR4A2 P43354 1/20 0.47
PPARA Q07869 2/20 0.46
TPMT P51580 1/20 0.46
SMPD1 P17405 1/20 0.45
FFAR1 O14842 2/20 0.45
KDM5A P29375 1/20 0.45

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
SCHEMBL27213711 0.91 RAB9A (0.64) SMN1; SMN2RAB9ANPC1POLBPLA2G4B
SCHEMBL2312758 0.89 LMNA (0.49) SMN1; SMN2RAB9ANPC1POLBPLA2G4B
SCHEMBL14699807 0.86 RAB9A (0.58) SMN1; SMN2RAB9ANPC1POLBPLA2G4B
SCHEMBL27347151 0.82 RAB9A (0.53) SMN1; SMN2RAB9ANPC1POLBPLA2G4B
SCHEMBL3237857 0.80 MAOB (0.55) SMN1; SMN2RAB9ANPC1POLBPLA2G4B
SCHEMBL29322169 0.79 PARP10 (0.54) SMN1; SMN2RAB9ANPC1POLBFFAR1
SCHEMBL27213893 0.79 LMNA (0.55) SMN1; SMN2RAB9ANPC1POLBPLA2G4B
SCHEMBL9356270 0.79 RAB9A (0.66) SMN1; SMN2RAB9ANPC1POLBPLA2G4B
SCHEMBL31056031 0.78 SMN1; SMN2 (0.49) SMN1; SMN2RAB9ANPC1POLBPLA2G4B
SCHEMBL30903838 0.78 RAB9A (0.49) SMN1; SMN2RAB9ANPC1POLBPLA2G4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2260017-A1 CONFORMATIONALLY CONSTRAINED CARBOXYLIC ACID DERIVATIVES USEFUL FOR TREATING METABOLIC DISORDERS Amgen, Inc (US) 2010-12-15 EP disclosed
EP-2205548-A1 SUBSTITUTED BIPHENYL GPR40 MODULATORS Amgen, Inc (US) 2010-07-14 EP disclosed
WO-2010045258-A2 SPIROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2010-04-22 WO disclosed
WO-2009111056-A1 CONFORMATIONALLY CONSTRAINED CARBOXYLIC ACID DERIVATIVES USEFUL FOR TREATING METABOLIC DISORDERS AMGEN INC. (US) 2009-09-11 WO disclosed
WO-2009048527-A1 SUBSTITUTED BIPHENYL GPR40 MODULATORS AMGEN INC. (US) 2009-04-16 WO disclosed