SCHEMBL9745991

SCHEMBL9745991

CCCC[Ti](CCCC)(CCCC)O[Ti](CCCC)(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.35
PCSK9 Q8NBP7 1/20 0.32
PTGS2 P35354 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL9745838 0.86 LTA4H (0.33) LTA4HPCSK9
SCHEMBL9746724 0.85 TP53 (0.30)
SCHEMBL9745203 0.70 LTA4H (0.35) LTA4HPCSK9PTGS2CYP1A2CYP2C9
SCHEMBL9745565 0.70 LTA4H (0.35) LTA4HPCSK9PTGS2CYP1A2CYP2C9
SCHEMBL9745547 0.70 TSHR (0.38) ALDH1A1TSHRTDP1
SCHEMBL12487225 0.68 LTA4H (0.35) LTA4HPCSK9PTGS2SMN1; SMN2SIGMAR1
SCHEMBL9746379 0.62 TSHR (0.41) ALDH1A1SMN1; SMN2TSHR
SCHEMBL9745802 0.62 TP53 (0.30)
SCHEMBL9745367 0.59 TSHR (0.37) SMN1; SMN2TSHR
SCHEMBL9745441 0.59 TSHR (0.32) TSHR

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-5100762-A Radiation-sensitive polymer and radiation-sensitive composition containing the same MITSUBISHI DENKI KABUSHIKI KAISHA (JP) 1992-03-31 US disclosed