SCHEMBL8859487

SCHEMBL8859487

CCCCCCCCCCCCCC(C(O)=S)c1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SLC6A4 P31645 1/20 0.40
GAA P10253 1/20 0.39
SOAT1 P35610 1/20 0.39
CNR1 P21554 3/20 0.38
CNR2 P34972 3/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CSNK1E P49674 1/20 0.38

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
SCHEMBL8859483 0.92 KDM4E (0.38) KDM4EKMT2AL3MBTL1SLC6A4GAA
SCHEMBL8859392 0.92 SLC6A4 (0.39) KDM4EKMT2AL3MBTL1SLC6A4GAA
SCHEMBL8859443 0.91 KDM4E (0.40) KDM4EKMT2AL3MBTL1SLC6A4GAA
SCHEMBL8859386 0.91 KMT2A (0.37) KDM4EKMT2AL3MBTL1SLC6A4GAA
SCHEMBL8859580 0.91 ALDH1A1 (0.38) KDM4EKMT2AL3MBTL1SLC6A4GAA
SCHEMBL8859464 0.90 KDM4E (0.39) KDM4EKMT2AL3MBTL1SLC6A4GAA
SCHEMBL2024342 0.86 KDM4E (0.49) KDM4EKMT2AL3MBTL1CNR1CNR2
SCHEMBL3740930 0.86 KDM4E (0.49) KDM4EKMT2AL3MBTL1CNR1CNR2
SCHEMBL451183 0.86 KDM4E (0.49) KDM4EKMT2AL3MBTL1CNR1CNR2
SCHEMBL1826965 0.86 KDM4E (0.49) KDM4EKMT2AL3MBTL1CNR1CNR2

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-5672730-A OXIDATION RESIST STABILIZER FOR POLYMERIC BLENDS THE GOODYEAR TIRE & RUBBER COMPANY (US) 1997-09-30 US disclosed