SCHEMBL21883834

SCHEMBL21883834

CC(CCOC(=O)CBr)OC(=O)CBr

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
TRPA1 O75762 2/20 0.45
ALDH1A1 P00352 1/20 0.45
FAAH O00519 6/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
CYP19A1 P11511 1/20 0.33
CHRNB2 P17787 3/20 0.32
CHRNA4 P43681 3/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
ALOX15 P16050 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
SCHEMBL8990028 0.81 CYP2C19 (0.54) CYP2C19L3MBTL1TRPA1ALDH1A1FAAH
SCHEMBL21883838 0.81 CYP2C19 (0.54) CYP2C19L3MBTL1TRPA1ALDH1A1FAAH
SCHEMBL9830791 0.79 FAAH (0.50) CYP2C19L3MBTL1TRPA1ALDH1A1FAAH
SCHEMBL6723780 0.79 ALDH1A1 (0.48) CYP2C19L3MBTL1TRPA1ALDH1A1FAAH
SCHEMBL3985515 0.78 NAAA (0.45) CYP2C19ALDH1A1FAAHCNR1CNR2
SCHEMBL99554 0.76 TSHR (0.38) FAAHCNR1CNR2CYP19A1CHRNB2
SCHEMBL11685616 0.76 FAAH (0.44) FAAHCNR1CNR2CYP19A1CHRNB2
SCHEMBL20581538 0.74 DGKA (0.42) ALDH1A1FAAHCNR1CNR2
SCHEMBL15513264 0.74 MGAM (0.41) FAAHCNR1CNR2CYP19A1CHRNB2
SCHEMBL9831383 0.74 FAAH (0.73) L3MBTL1ALDH1A1FAAHCNR1CNR2

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-2020054874-A1 PHOTOPOLYMERIZATION SENSITIZER 川崎化成工業株式会社 2020-03-19 WO disclosed