SCHEMBL13070481

SCHEMBL13070481

CCC(=O)c1ccc2c(c1)oc1cc(C(=O)CO)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.45
SIGMAR1 Q99720 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
STS P08842 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 3/20 0.40
TTR P02766 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HTR2B P41595 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 3/20 0.38
HTT P42858 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL13070610 0.82 STS (0.39) MEN1KMT2ASTSSMN1; SMN2MAPT
SCHEMBL17656252 0.82 CBX7 (0.40) STSSMN1; SMN2MAPTTTRHTR2B
SCHEMBL204756 0.75 PTPN1 (0.50) SMN1; SMN2MAPTTTRHTR2BKDM4E
SCHEMBL11864035 0.75 TTR (0.65) MEN1KMT2ASTSTTRKDM4E
SCHEMBL10992173 0.75 TTR (0.55) MEN1KMT2ASTSSMN1; SMN2MAPT
SCHEMBL16806149 0.73 HSD17B3 (0.55) ATMMEN1KMT2ASTSSMN1; SMN2
SCHEMBL15040999 0.72 NPC1 (0.54) MEN1KMT2ASMN1; SMN2MAPTTTR
SCHEMBL11843291 0.71 XDH (0.45) SMN1; SMN2L3MBTL1ALDH1A1HPGDNPC1
SCHEMBL30175920 0.70 TTR (0.68) MEN1KMT2ASMN1; SMN2MAPTTTR
SCHEMBL69226 0.70 TTR (0.68) MEN1KMT2ASMN1; SMN2MAPTTTR

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-2010132601-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-11-18 WO disclosed