SCHEMBL21811641

SCHEMBL21811641

CCCCC(I)OC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
PRKCA P17252 3/20 0.41
CA2 P00918 5/20 0.39
CA1 P00915 3/20 0.39
MAPK1 P28482 2/20 0.39
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
FAAH O00519 1/20 0.36
PRKCD Q05655 1/20 0.36
FDPS P14324 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL21811935 0.94 PRKCA (0.44) ALDH1A1PRKCACA1MAPK1MAPT
SCHEMBL21811842 0.92 PRKCA (0.46) PRKCACA2MAPK1MAPTFAAH
SCHEMBL22352621 0.92 PRKCA (0.46) PRKCACA2MAPK1MAPTFAAH
SCHEMBL21811627 0.92 PRKCA (0.46) PRKCACA2MAPK1MAPTFAAH
SCHEMBL21811902 0.92 PRKCA (0.46) PRKCACA2MAPK1MAPTFAAH
SCHEMBL6663422 0.86
SCHEMBL21061041 0.85 PRKCA (0.43) ALDH1A1PRKCAMAPTFAAHPRKCD
SCHEMBL27580400 0.80 TSHR (0.46) ALDH1A1PRKCACA2CA1MAPK1
SCHEMBL21061050 0.79 PRKCA (0.50) PRKCAMAPTFAAHLMNA
SCHEMBL7092853 0.78 PRKCA (0.42) ALDH1A1PRKCACA2CA1MAPK1

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
WO-2020054874-A1 PHOTOPOLYMERIZATION SENSITIZER 川崎化成工業株式会社 2020-03-19 WO disclosed
CN-1672054-A Detecting receptor oligomerization ACLARA BIOSCIENCES INC (US) 2005-09-21 CN disclosed