SCHEMBL6676563

SCHEMBL6676563

CC(C)OC1(C)C=CC(C(=O)O)(c2ccccc2)C=C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.37
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HTT P42858 2/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
AKR1C1 Q04828 1/20 0.33
CCR2 P41597 1/20 0.32
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
ELANE P08246 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL6677414 0.81 KMT2A (0.40) MEN1KMT2AHTTTSHRALDH1A1
SCHEMBL28890126 0.78 AKR1C1 (0.46) KMT2AHTTTSHRALDH1A1AKR1C1
SCHEMBL6680771 0.74 AKR1C1 (0.37) MEN1KMT2AHTTAKR1C1CCR2
SCHEMBL6639935 0.73 OPRM1 (0.39) MEN1KMT2AHTTAKR1C1HCAR3
SCHEMBL6679652 0.73 CES2 (0.36) MEN1KMT2AHTTTSHRALDH1A1
SCHEMBL6677871 0.70 AKR1C1 (0.34) MEN1KMT2AHTTAKR1C1CCR2
SCHEMBL6678308 0.70 AKR1C1 (0.34) MEN1KMT2AHTTTSHRALDH1A1
SCHEMBL6677394 0.67 AKR1C1 (0.37) MEN1KMT2AHTTAKR1C1SMN1; SMN2
SCHEMBL5614157 0.67 HCAR3 (0.36) MEN1KMT2ATSHRAKR1C1HCAR3
SCHEMBL6677071 0.67 SMN1; SMN2 (0.36) MEN1KMT2AALDH1A1SMN1; SMN2

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