SCHEMBL7628671

SCHEMBL7628671

CCCCCCc1cc[nH]c1CO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.45
LIPG Q9Y5X9 1/20 0.43
TYR P14679 2/20 0.42
TP53 P04637 2/20 0.42
CYP3A4 P08684 2/20 0.42
MEN1 O00255 1/20 0.42
ALOX5 P09917 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ESR1 P03372 2/20 0.39
ADRA2A P08913 2/20 0.39
ADORA3 P0DMS8 2/20 0.39
TACR2 P21452 2/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39

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
SCHEMBL28843604 0.87 GPR84 (0.49) GPR84LIPGTYRTP53CYP3A4
SCHEMBL28171089 0.87 GPR84 (0.49) GPR84LIPGTYRTP53CYP3A4
SCHEMBL9784830 0.87 GPR84 (0.49) GPR84LIPGTYRTP53CYP3A4
SCHEMBL29405184 0.87 GPR84 (0.49) GPR84LIPGTYRTP53CYP3A4
SCHEMBL28253637 0.85 GPR84 (0.47) GPR84LIPGTYRTP53CYP3A4
Bromide SCHEMBL31310734 0.85 GPR84 (0.47) GPR84LIPGTYRTP53CYP3A4
SCHEMBL82799 0.85 GPR84 (0.46) GPR84LIPGTYRTP53CYP3A4
SCHEMBL9340462 0.84 GPR84 (0.42) GPR84LIPGTYRTP53CYP3A4
SCHEMBL3124388 0.79 GPR84 (0.39) GPR84LIPGTYRTP53CYP3A4
SCHEMBL2971950 0.78 GPR84 (0.47) GPR84LIPGTYRTP53CYP3A4

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
US-RE37839-E1 O-benzyloxime ethers and crop protection agents containing these compounds BASF AKTIENGESELLSCHAFT (DE) 2002-09-10 US disclosed