SCHEMBL6640302

SCHEMBL6640302

CCOc1ccc(-c2ccccc2)c(C(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 5/20 0.59
SMN1; SMN2 Q16637 4/20 0.58
KDM4E B2RXH2 4/20 0.56
LMNA P02545 3/20 0.56
TP53 P04637 1/20 0.56
HCRTR1 O43613 1/20 0.55
HCRTR2 O43614 1/20 0.55
ALDH1A1 P00352 3/20 0.54
HPGD P15428 3/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
FOLH1 Q04609 1/20 0.53
RXRA P19793 1/20 0.52
RXRB P28702 1/20 0.52
HSD17B10 Q99714 2/20 0.51
MAPK1 P28482 1/20 0.51
RECQL P46063 1/20 0.51
LTB4R Q15722 1/20 0.50
LTB4R2 Q9NPC1 1/20 0.50
GAA P10253 1/20 0.49

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
SCHEMBL6491926 0.88 SMN1; SMN2 (0.59) PTPN11SMN1; SMN2KDM4ELMNATP53
SCHEMBL6487707 0.87 SMN1; SMN2 (0.57) PTPN11SMN1; SMN2KDM4ELMNATP53
SCHEMBL9697885 0.87 HCRTR1 (0.69) PTPN11SMN1; SMN2KDM4ELMNATP53
SCHEMBL6492999 0.87 SMN1; SMN2 (0.57) PTPN11SMN1; SMN2KDM4ELMNATP53
SCHEMBL27795075 0.86 PTPN11 (0.60) PTPN11SMN1; SMN2ALDH1A1FOLH1HSD17B10
SCHEMBL5348527 0.85 PTPN11 (0.79) PTPN11SMN1; SMN2TP53TSHR
SCHEMBL28214486 0.84 SMN1; SMN2 (0.54) PTPN11SMN1; SMN2KDM4ELMNATP53
SCHEMBL6940402 0.84 PTPN11 (0.81) PTPN11TP53TSHR
SCHEMBL4599123 0.84 PTPN11 (0.81) PTPN11TP53TSHR
SCHEMBL7755264 0.84 PTPN11 (0.81) PTPN11TP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1383760-A1 BIARYLCARBOXAMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-28 EP disclosed
WO-2002090347-A1 AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-14 WO disclosed