SCHEMBL6679649

SCHEMBL6679649

CC(=O)C1(C)C=CC(c2ccccc2)C(C(=O)O)=C1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CACNA1D Q01668 1/20 0.35
POLB P06746 1/20 0.32
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
USP2 O75604 1/20 0.31
SLC9A1 P19634 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL6678306 0.88 CACNA1D (0.33) CACNA1DPOLBALDH1A1HSD17B10
SCHEMBL6677898 0.86 TSHR (0.37) CACNA1DPOLBHCRTR1HCRTR2ALDH1A1
SCHEMBL6680769 0.80 SLC9A1 (0.34) CACNA1DHCRTR1HCRTR2SLC9A1SMN1; SMN2
SCHEMBL6639930 0.79 KIF11 (0.32) CACNA1DSLC9A1SMN1; SMN2HTT
SCHEMBL6677411 0.78 ATM (0.33) CACNA1DPOLBALDH1A1SLC9A1HTT
SCHEMBL1170017 0.76 CACNA1D (0.31) CACNA1D
SCHEMBL6678135 0.75 TSHR (0.35) CACNA1DPOLBALDH1A1HSD17B10SMN1; SMN2
SCHEMBL6676562 0.74 PYGM (0.30)
SCHEMBL6677390 0.74 MEN1 (0.31) CACNA1D
SCHEMBL5614156 0.74 CACNA1D (0.33) CACNA1D

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-1472226-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-03 EP disclosed
WO-2003045921-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-05 WO disclosed