SCHEMBL3454467

SCHEMBL3454467

CC1(Cc2ccccc2)C=COC1C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.38
CYP3A4 P08684 2/20 0.35
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALDH1A1 P00352 3/20 0.33
HSD17B10 Q99714 2/20 0.33
SIRT1 Q96EB6 1/20 0.33
PTGS1 P23219 1/20 0.33
SLC9A1 P19634 1/20 0.33
ELANE P08246 1/20 0.33
PLA2G10 O15496 1/20 0.33
PLA2G2A P14555 1/20 0.33
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
AMPD2 Q01433 1/20 0.32
NPC1 O15118 2/20 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
SCHEMBL8819953 0.74 SLC9A1 (0.35) HSD11B1CYP3A4MEN1MAPTKMT2A
SCHEMBL629678 0.64 CYP3A4 (0.40) HSD11B1CYP3A4MEN1MAPTKMT2A
SCHEMBL19747293 0.60 ADAM17 (0.49) HSD11B1CYP3A4MEN1KMT2ALMNA
SCHEMBL7371048 0.60 CYP3A4 (0.39) HSD11B1CYP3A4MEN1MAPTKMT2A
SCHEMBL605319 0.58 MAOA (0.34) CYP3A4MEN1MAPTKMT2AELANE
SCHEMBL8883781 0.58 HSD11B1 (0.35) HSD11B1CYP3A4MEN1MAPTKMT2A
SCHEMBL1680374 0.58 ELANE (0.40) ALDH1A1ELANETSHR
SCHEMBL11482575 0.58 FDFT1 (0.42) HSD11B1CYP3A4MEN1KMT2ALMNA
SCHEMBL19814600 0.58 MAOA (0.41) HSD11B1LMNAPTGS1PLA2G10PLA2G2A
SCHEMBL11068061 0.58 FDFT1 (0.42) HSD11B1CYP3A4MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007143597-A9 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-11-11 WO disclosed
EP-2029572-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2009-03-04 EP disclosed
WO-2007143597-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-12-13 WO disclosed