SCHEMBL22137299

SCHEMBL22137299

ICCCCCc1ccc(CCCC2CCCCC2)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CEL P19835 2/20 0.46
BCHE P06276 8/20 0.43
MCL1 Q07820 1/20 0.41
CYSLTR2 Q9NS75 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
SLC6A4 P31645 1/20 0.41
SIGMAR1 Q99720 3/20 0.40
ACHE P22303 2/20 0.37
CXCR4 P61073 1/20 0.37
KDM1A O60341 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL9529506 0.77 BCHE (0.66) CELBCHESLC6A4SIGMAR1
SCHEMBL2112328 0.73 SIGMAR1 (0.60) SIGMAR1
SCHEMBL18978572 0.73 SIGMAR1 (0.60) SIGMAR1
SCHEMBL19465402 0.72 BCHE (0.49) CELBCHESLC6A4SIGMAR1ACHE
SCHEMBL9133794 0.71 CEL (0.55) CELBCHEMCL1CYSLTR2CYSLTR1
SCHEMBL13460042 0.71 SIGMAR1 (0.56) CELSIGMAR1
SCHEMBL18978574 0.71 SIGMAR1 (0.56) SIGMAR1
SCHEMBL16593849 0.70 CYP1A2 (0.52) CELBCHECYSLTR2CYSLTR1SIGMAR1
SCHEMBL7392307 0.69 SIGMAR1 (0.64) MCL1CYSLTR2CYSLTR1SIGMAR1
SCHEMBL5087578 0.69 SIGMAR1 (0.64) MCL1CYSLTR2CYSLTR1SIGMAR1

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
WO-2020129476-A1 ACTIVE-LIGHT-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, RESIST FILM, PATTERN FORMATION METHOD, AND METHOD FOR MANUFACTURING ELECTRONIC DEVICE 富士フイルム株式会社 2020-06-25 WO disclosed