SCHEMBL23440397

SCHEMBL23440397

ClCc1ccc(OCc2ccccc2)cc1.OCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.59
CYP1A2 P05177 1/20 0.59
PTGS1 P23219 1/20 0.59
SLC6A2 P23975 1/20 0.59
CYP2C19 P33261 1/20 0.59
PTGS2 P35354 1/20 0.59
SLC6A3 Q01959 1/20 0.59
HIF1A Q16665 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
LTA4H P09960 2/20 0.58
EPHX2 P34913 1/20 0.58
MAOB P27338 4/20 0.54
BCHE P06276 1/20 0.54
RAB9A P51151 2/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
MAOA P21397 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
NR4A1 P22736 1/20 0.53

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
SCHEMBL703 0.91 LMNA (0.64) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL126452 0.91 LMNA (0.70) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL9571885 0.89 LMNA (0.62) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL1746578 0.86 LTA4H (0.71) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL6192316 0.86 LMNA (0.63) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL5400014 0.85 APP (0.64) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL6157815 0.85 APP (0.64) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL25297779 0.81 LMNA (0.53) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL10609652 0.79 LMNA (0.75) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL339813 0.79 LMNA (0.82) LMNACYP1A2PTGS1SLC6A2CYP2C19

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
EP-3830088-A1 SYNTHESIS OF COELENTERAZINE International Paper Company (US) 2021-06-09 EP disclosed