SCHEMBL4459809

SCHEMBL4459809

C=Cc1cccc(Cc2ccccc2S)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
FAAH O00519 1/20 0.35
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
TBXA2R P21731 1/20 0.33
PTGER4 P35408 1/20 0.33
PTGFR P43088 1/20 0.33
PTGER3 P43115 1/20 0.33
PTGER2 P43116 1/20 0.33
PTGDR Q13258 1/20 0.33
BCL2 P10415 1/20 0.32
BCL2L1 Q07817 1/20 0.32
ELANE P08246 1/20 0.31
PTGS2 P35354 1/20 0.31
HTR2A P28223 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
SCHEMBL15809482 0.81 TP53 (0.40) TP53TDP1ALDH1A1TSHRFAAH
SCHEMBL4452397 0.81 SLC5A2 (0.42) ALDH1A1TSHRSLC6A2SLC6A4SLC6A3
SCHEMBL595537 0.80 TP53 (0.52) TP53TDP1ALDH1A1TSHRFAAH
SCHEMBL7180862 0.78 ALDH1A1 (0.52) TP53TDP1ALDH1A1TSHRFAAH
SCHEMBL21633505 0.77 FAAH (0.34) TP53TDP1ALDH1A1TSHRFAAH
SCHEMBL21380590 0.77 BCL2 (0.36) SLC6A2SLC6A4SLC6A3BCL2BCL2L1
SCHEMBL5665065 0.75 TP53 (0.44) TP53TDP1ALDH1A1TSHRFAAH
SCHEMBL29279068 0.74 TAAR1 (0.44) TDP1
SCHEMBL3440707 0.74 ENPP2 (0.47) BCL2BCL2L1
SCHEMBL29057939 0.74 TAAR1 (0.44) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1524289-B1 POLYMERIZABLE COMPOSITION, OPTICAL MATERIAL COMPRISING THE COMPOSITION AND METHOD FOR PRODUCING THE MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2009-09-16 EP disclosed
US-20070149639-A1 Polymerizable composition, optical material comprising the composition and method for producing the material HORIKOSHI HIROSHI 2007-06-28 US disclosed
EP-1524289-A1 POLYMERIZABLE COMPOSITION, OPTICAL MATERIAL COMPRISING THE COMPOSITION AND METHOD FOR PRODUCING THE MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2005-04-20 EP disclosed
US-20040254258-A1 Polymerizable composition, optical material comprising the composition and method for producing the material MITSUBISHI GAS CHEMICAL CO., LTD. (JP) 2004-12-16 US disclosed