SCHEMBL28022207

SCHEMBL28022207

CC(CC=O)CCCCC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
SIGMAR1 Q99720 5/20 0.41
MAPT P10636 2/20 0.36
METAP1 P53582 1/20 0.34
EPHX1 P07099 1/20 0.33
GPR84 Q9NQS5 1/20 0.33

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
Methylamine SCHEMBL27970228 0.90 MAPT (0.40) CYP1A2SIGMAR1MAPTMETAP1
SCHEMBL7879516 0.87 METAP1 (0.41) CYP1A2SIGMAR1METAP1
SCHEMBL6564265 0.85 METAP1 (0.38) CYP1A2MAPTMETAP1
SCHEMBL1966551 0.77 LMNA (0.41)
SCHEMBL8134135 0.77 CYP1A2 (0.52) CYP1A2SIGMAR1MAPT
SCHEMBL23960 0.76 ADH1C (0.38)
SCHEMBL2999460 0.74 SIGMAR1 (0.54) CYP1A2SIGMAR1
SCHEMBL6939636 0.74 SIGMAR1 (0.54) CYP1A2SIGMAR1
SCHEMBL3632645 0.74 SIGMAR1 (0.54) CYP1A2SIGMAR1
SCHEMBL3892828 0.74 SIGMAR1 (0.54) CYP1A2SIGMAR1

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-106413667-A Dental adhesive 可乐丽则武齿科株式会社 2017-02-15 CN disclosed
CN-105101934-A Curable composition for dental use KURARAY NORITAKE DENTAL INC 2015-11-25 CN disclosed
CN-103118626-B Dental mill blank KURARAY NORITAKE DENTAL INC. (JP) 2015-08-05 CN disclosed