SCHEMBL8801412

SCHEMBL8801412

CN(C)c1cccc(C(=O)C(O)c2ccccc2)c1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
LMNA P02545 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 2/20 0.44
GAA P10253 2/20 0.44
TSHR P16473 2/20 0.44
TP53 P04637 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
FABP4 P15090 2/20 0.40
MAPK1 P28482 2/20 0.40
NSD2 O96028 1/20 0.40
EGFR P00533 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
HPGD P15428 1/20 0.37
HNF4A P41235 1/20 0.34

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
SCHEMBL2353274 0.85 ALDH1A1 (0.57) ALDH1A1KDM4ELMNASMN1; SMN2MAPT
SCHEMBL8801407 0.79 ALDH1A1 (0.51) ALDH1A1KDM4ELMNASMN1; SMN2MAPT
SCHEMBL8800486 0.78 CES2 (0.49) ALDH1A1KDM4ELMNAGAACES2
SCHEMBL8799603 0.78 FABP3 (0.49) ALDH1A1KDM4ELMNATSHRCES2
SCHEMBL8800972 0.77 FABP4 (0.52) ALDH1A1LMNAGAATP53CES2
SCHEMBL8802097 0.75 RAB9A (0.49) ALDH1A1KDM4ELMNASMN1; SMN2MAPT
SCHEMBL28285937 0.72 MAPT (0.50) ALDH1A1KDM4ELMNASMN1; SMN2MAPT
SCHEMBL2362426 0.72 LMNA (0.47) ALDH1A1KDM4ELMNASMN1; SMN2MAPT
SCHEMBL665133 0.72 LMNA (0.55) ALDH1A1KDM4ELMNASMN1; SMN2GAA
SCHEMBL5597507 0.71 LMNA (0.50) ALDH1A1KDM4ELMNASMN1; SMN2MAPT

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-0772601-A1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP disclosed