SCHEMBL6677902

SCHEMBL6677902

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HTT P42858 1/20 0.46
CYP3A4 P08684 5/20 0.40
TSHR P16473 4/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
IDO1 P14902 1/20 0.33
ADAM17 P78536 1/20 0.33
SIGMAR1 Q99720 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
SCHEMBL6678138 0.88 MEN1 (0.45) MEN1KMT2AHTTCYP3A4TSHR
SCHEMBL6679652 0.83 CES2 (0.36) MEN1KMT2AHTTTSHRALDH1A1
SCHEMBL6682474 0.83 MEN1 (0.43) MEN1KMT2AHTTCYP3A4TSHR
SCHEMBL6681184 0.74 MEN1 (0.38) MEN1KMT2AHTTCYP3A4TSHR
SCHEMBL6678308 0.70 AKR1C1 (0.34) MEN1KMT2AHTTTSHRALDH1A1
SCHEMBL6677414 0.68 KMT2A (0.40) MEN1KMT2AHTTCYP3A4TSHR
SCHEMBL28890126 0.66 AKR1C1 (0.46) KMT2AHTTTSHRALDH1A1ALOX15
SCHEMBL9690243 0.66 KMT2A (0.53) MEN1KMT2AHTTCYP3A4TSHR
SCHEMBL830804 0.66 MEN1 (0.53) MEN1KMT2AHTTTSHRADAM17
SCHEMBL349195 0.65 MEN1 (0.56) MEN1KMT2AHTT

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