SCHEMBL27645818

SCHEMBL27645818

C=CC(=O)Oc1ccc(S)c(OCC)c1OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.41
THRA P10827 1/20 0.41
EGFR P00533 1/20 0.34
TSHR P16473 2/20 0.34
TYMS P04818 1/20 0.34
POLB P06746 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
CASP6 P55212 1/20 0.33
CYP2C9 P11712 1/20 0.33
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
MAPT P10636 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HSD17B10 Q99714 2/20 0.32
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
USP2 O75604 1/20 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
SCHEMBL28119567 0.88 THRB (0.45) THRBTHRAEGFRTSHRTYMS
SCHEMBL27990349 0.84 THRB (0.40) THRBTHRAEGFRPOLBNPC1
SCHEMBL2154420 0.84 THRB (0.42) THRBTHRAEGFRTSHRTYMS
SCHEMBL30029361 0.82 THRB (0.44) THRBTHRAEGFRTSHRTYMS
SCHEMBL331318 0.82 THRB (0.44) THRBTHRAEGFRTSHRTYMS
SCHEMBL28931543 0.81 THRB (0.51) THRBTHRATSHRTYMSCYP1A2
SCHEMBL3102739 0.81 THRB (0.40) THRBTHRAEGFRTSHRTYMS
SCHEMBL27666953 0.81 CYP1A2 (0.36) THRBTSHRPOLBCYP1A2CYP2C19
SCHEMBL27766340 0.80 THRB (0.36) THRBTHRAEGFRTSHRSMN1; SMN2
SCHEMBL5178022 0.80 THRB (0.39) THRBTHRAEGFRTSHRTYMS

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100384895-C Actinic-energy-ray-curable composition for optical material TOAGOSEI CO LTD (JP) 2008-04-30 CN claimed
CN-100384895-C Actinic-energy-ray-curable composition for optical material TOAGOSEI CO LTD (JP) 2008-04-30 CN disclosed
CN-1875041-A Actinic-energy-ray-curable composition for optical material TOAGOSEI CO LTD (JP) 2006-12-06 CN disclosed