SCHEMBL28695453

SCHEMBL28695453

CCOC(=O)c1ccc(CCOCc2ccccc2)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.46
NPC1 O15118 2/20 0.46
KMT2A Q03164 2/20 0.46
MMP2 P08253 6/20 0.46
MMP12 P39900 6/20 0.46
MMP9 P14780 4/20 0.46
MMP1 P03956 4/20 0.46
MAPT P10636 3/20 0.41
ATM Q13315 2/20 0.41
STAT1 P42224 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.41
ALOX5 P09917 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL29886826 0.93 MMP2 (0.45) RAB9ANPC1KMT2AMMP2MMP12
SCHEMBL29696029 0.92 MMP2 (0.44) RAB9ANPC1KMT2AMMP2MMP12
SCHEMBL1149624 0.85 SMN1; SMN2 (0.49) RAB9ANPC1KMT2AMMP2MMP12
SCHEMBL10504857 0.84 RAB9A (0.48) RAB9ANPC1KMT2AMMP2MMP12
SCHEMBL1149576 0.83 MMP1 (0.50) RAB9ANPC1KMT2AMMP2MMP12
SCHEMBL949403 0.81 SMN1; SMN2 (0.51) RAB9ANPC1KMT2AMMP2MMP12
SCHEMBL20660941 0.77 HPGDS (0.52) RAB9ANPC1KMT2AMAPTATM
SCHEMBL10503868 0.76 HSD17B10 (0.46) RAB9ANPC1KMT2AMMP2MAPT
SCHEMBL29696139 0.76 MMP2 (0.49) RAB9ANPC1KMT2AMMP2MMP12
SCHEMBL2422895 0.76 SRD5A2 (0.46) RAB9ANPC1KMT2AMMP2MMP12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114026068-A EP2 antagonists 小野药品工业株式会社 2022-02-08 CN disclosed