SCHEMBL28511546

SCHEMBL28511546

CCCCC(CCC=O)CCCC.[Ti]

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.52
CYP3A4 P08684 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 4/20 0.43
FAAH O00519 2/20 0.43
TRPV1 Q8NER1 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 2/20 0.39
ATM Q13315 1/20 0.37
CA2 P00918 2/20 0.36
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
ADH7 P40394 1/20 0.36
HIF1A Q16665 1/20 0.35
EPHX1 P07099 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL9770261 0.98 TSHR (0.55) TSHRCYP3A4L3MBTL1ALDH1A1FAAH
SCHEMBL8352114 0.93 TSHR (0.50) TSHRCYP3A4L3MBTL1ALDH1A1FAAH
SCHEMBL29008643 0.89 TSHR (0.54) TSHRCYP3A4L3MBTL1ALDH1A1FAAH
SCHEMBL9257903 0.88 TSHR (0.58) TSHRCYP3A4L3MBTL1ALDH1A1FAAH
SCHEMBL22465773 0.88 TSHR (0.58) TSHRCYP3A4L3MBTL1ALDH1A1FAAH
SCHEMBL19759291 0.88 TSHR (0.58) TSHRCYP3A4L3MBTL1ALDH1A1FAAH
SCHEMBL2958422 0.88 CYP3A4 (0.53) TSHRCYP3A4L3MBTL1ALDH1A1FAAH
SCHEMBL29008641 0.86 CYP3A4 (0.52) TSHRCYP3A4L3MBTL1ALDH1A1FAAH
SCHEMBL9266182 0.85 TSHR (0.54) TSHRCYP3A4L3MBTL1ALDH1A1FAAH
SCHEMBL9202122 0.85 TSHR (0.46) TSHRCYP3A4L3MBTL1ALDH1A1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112313578-B Lithographic printing plate precursor, method for producing lithographic printing plate, and method for producing printed matter using same 东丽株式会社 2022-02-08 CN disclosed
CN-112313578-A Lithographic printing plate precursor, method for producing lithographic printing plate, and method for producing printed matter using same 东丽株式会社 2021-02-02 CN disclosed