SCHEMBL6682474

SCHEMBL6682474

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HTT P42858 2/20 0.42
CYP3A4 P08684 3/20 0.36
TSHR P16473 3/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 3/20 0.35
MAPT P10636 1/20 0.35
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
ADAM17 P78536 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL6677902 0.83 MEN1 (0.47) MEN1KMT2AHTTCYP3A4TSHR
SCHEMBL6678138 0.77 MEN1 (0.45) MEN1KMT2AHTTCYP3A4TSHR
SCHEMBL6681184 0.76 MEN1 (0.38) MEN1KMT2AHTTCYP3A4TSHR
SCHEMBL28890126 0.65 AKR1C1 (0.46) KMT2AHTTTSHRALDH1A1LMNA
SCHEMBL830804 0.65 MEN1 (0.53) MEN1KMT2AHTTTSHRADAM17
SCHEMBL6679652 0.65 CES2 (0.36) MEN1KMT2AHTTTSHRALDH1A1
SCHEMBL349195 0.64 MEN1 (0.56) MEN1KMT2AHTT
SCHEMBL6677414 0.64 KMT2A (0.40) MEN1KMT2AHTTCYP3A4TSHR
SCHEMBL6677071 0.62 SMN1; SMN2 (0.36) MEN1KMT2AALDH1A1SIGMAR1HSD17B10
SCHEMBL6677394 0.62 AKR1C1 (0.37) MEN1KMT2AHTTLMNAPOLB

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