SCHEMBL3348500

SCHEMBL3348500

COc1ccc(/C(C)=C/C(=O)O)c(NC(=O)C(C)(C)C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
NNMT P40261 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
ADORA1 P30542 2/20 0.34
SORT1 Q99523 1/20 0.33
MAPT P10636 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
CYP1A2 P05177 1/20 0.33
LMNA P02545 2/20 0.32
MEN1 O00255 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
SCHEMBL3348507 1.00 POLB (0.40) POLBTDP1RAB9ANPC1NNMT
SCHEMBL3348511 1.00 POLB (0.40) POLBTDP1RAB9ANPC1NNMT
SCHEMBL1313703 0.85 SMN1; SMN2 (0.38) POLBTDP1RAB9ANPC1NNMT
SCHEMBL1313705 0.82 POLB (0.36) POLBTDP1RAB9ANPC1NNMT
SCHEMBL335175 0.81 AR (0.35) POLBTDP1RAB9ANPC1NNMT
SCHEMBL1313707 0.78 POLB (0.39) POLBTDP1RAB9ANPC1NNMT
SCHEMBL3330314 0.76 ATM (0.39) POLBTDP1RAB9ANPC1SMN1; SMN2
SCHEMBL3330309 0.76 ATM (0.39) POLBTDP1RAB9ANPC1SMN1; SMN2
SCHEMBL30884726 0.76 PARP2 (0.46) POLBTDP1NNMTSMN1; SMN2HPGD
SCHEMBL336655 0.74 L3MBTL1 (0.41) POLBTDP1RAB9ANPC1NNMT

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-2010043714-A1 TRICYCLIC NITROGEN COMPOUNDS USED AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2010-04-22 WO disclosed