SCHEMBL6677071

SCHEMBL6677071

CCOC1(F)C=CC(C(=O)O)(c2ccccc2)C=C1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
OPRM1 P35372 8/20 0.35
OPRD1 P41143 6/20 0.35
OPRK1 P41145 6/20 0.35
SLC22A1 O15245 1/20 0.35
SLC6A4 P31645 1/20 0.35
ADRA1A P35348 1/20 0.35
KCNH2 Q12809 1/20 0.35
MITF O75030 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALOX5 P09917 1/20 0.33
PRCP P42785 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
GLA P06280 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL5614157 0.79 HCAR3 (0.36) OPRM1MITFMEN1KMT2APRCP
SCHEMBL28890126 0.77 AKR1C1 (0.46) OPRM1KMT2AALDH1A1
SCHEMBL6677394 0.73 AKR1C1 (0.37) SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL6680771 0.73 AKR1C1 (0.37) OPRM1MEN1KMT2A
SCHEMBL6677414 0.70 KMT2A (0.40) MEN1KMT2AALDH1A1HSD17B10
SCHEMBL6677871 0.69 AKR1C1 (0.34) SLC6A4MEN1KMT2A
SCHEMBL6679652 0.68 CES2 (0.36) OPRM1MEN1KMT2AALDH1A1HSD17B10
SCHEMBL6676563 0.67 ATM (0.37) SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL6681685 0.66 AKR1C1 (0.34) MEN1KMT2A
SCHEMBL29031878 0.64 ALDH1A1 (0.44) SMN1; SMN2MEN1KMT2AALDH1A1

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