SCHEMBL9779018

SCHEMBL9779018

CCCCC(CC)COCCc1ccc2c(c1C(=O)[O-])Cc1ccccc1O2.CCCCC(CC)COCCc1ccc2c(c1C(=O)[O-])Cc1ccccc1O2.[Pt+2]

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
CYP3A4 P08684 4/20 0.38
CA2 P00918 3/20 0.38
LMNA P02545 3/20 0.35
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP14 P50281 1/20 0.33
TSHR P16473 3/20 0.32
MAPK1 P28482 2/20 0.32
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL9306535 0.85 MAOA (0.34) MAPT
Zinc Ion SCHEMBL15157996 0.84 TSHR (0.36) ALDH1A1CYP3A4CA2LMNAPRSS1
Potassium Ion SCHEMBL1913954 0.84 TSHR (0.36) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL15158109 0.84 CA2 (0.37) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL9306760 0.83 ALDH1A1 (0.40) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL9806531 0.83 MAOA (0.34) MAPT
Potassium Ion SCHEMBL9306637 0.82 MEN1 (0.35) MEN1MAPTKMT2A
SCHEMBL9806556 0.81 ALDH1A1 (0.40) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL11418926 0.80 MAOA (0.37)
SCHEMBL639835 0.80 MAOA (0.37) MEN1MAPTKMT2A

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
US-5068375-A Substituted noble metal xanthates EXXON RESEARCH & ENGINEERING COMPANY (US) 1991-11-26 US disclosed