SCHEMBL3351444

SCHEMBL3351444

COC(=O)COc1cc(C)cc2[nH]c(=O)c(Cc3ccccc3Cl)c(C)c12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
KDM4E B2RXH2 6/20 0.47
HPGD P15428 4/20 0.47
HSD17B10 Q99714 3/20 0.47
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
CNR2 P34972 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 3/20 0.37
ALKBH3 Q96Q83 1/20 0.36
ALOX15 P16050 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PKM P14618 1/20 0.35

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
SCHEMBL3346093 0.90 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL3346540 0.87 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL3348773 0.85 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL3345105 0.81 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDHSD17B10PDE3B
SCHEMBL3347965 0.80 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL3344690 0.79 SMN1; SMN2 (0.49) ALDH1A1KDM4EPDE3BPDE3ASMN1; SMN2
SCHEMBL3345079 0.77 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL3345539 0.77 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL3348700 0.74 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL3344676 0.74 TDP1 (0.44) ALDH1A1KDM4EHPGDHSD17B10TSHR

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
WO-2010040989-A1 QUINOLIN-2-ONE COMPOUNDS ARGENTA ORAL THERAPEUTICS LIMITED (GB) 2010-04-15 WO disclosed