SCHEMBL21883835

SCHEMBL21883835

O=C(CBr)OCCCCCOC(=O)CBr

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.56
FAAH O00519 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 2/20 0.52
TRPA1 O75762 2/20 0.52
NAAA Q02083 1/20 0.50
TSHR P16473 2/20 0.42
CYP3A4 P08684 1/20 0.42
RAD52 P43351 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTR2C P28335 1/20 0.39
DGKA P23743 1/20 0.39
EPHX1 P07099 1/20 0.37
HTT P42858 1/20 0.36
ACHE P22303 2/20 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
SCHEMBL11791714 1.00 CYP2C19 (0.56) CYP2C19FAAHL3MBTL1ALDH1A1TRPA1
SCHEMBL3283564 0.97 CYP2C19 (0.58) CYP2C19FAAHL3MBTL1ALDH1A1TRPA1
SCHEMBL1848803 0.92 CYP2C19 (0.58) CYP2C19FAAHL3MBTL1ALDH1A1TRPA1
SCHEMBL21069032 0.91 FAAH (0.48) CYP2C19FAAHL3MBTL1ALDH1A1TRPA1
SCHEMBL28686531 0.91 FAAH (0.48) CYP2C19FAAHL3MBTL1ALDH1A1TRPA1
SCHEMBL6488908 0.90 CYP2C19 (0.52) CYP2C19FAAHL3MBTL1ALDH1A1TRPA1
SCHEMBL6783832 0.89 FAAH (0.72) CYP2C19FAAHL3MBTL1ALDH1A1TRPA1
SCHEMBL1037246 0.89 FAAH (0.72) CYP2C19FAAHL3MBTL1ALDH1A1TRPA1
SCHEMBL2431478 0.89 FAAH (0.72) CYP2C19FAAHL3MBTL1ALDH1A1TRPA1
SCHEMBL7453244 0.89 FAAH (0.72) CYP2C19FAAHL3MBTL1ALDH1A1TRPA1

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