SCHEMBL11253016

SCHEMBL11253016

COC(=O)N(c1cc(C)ccc1C(=O)c1ccccc1)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.45
GAA P10253 1/20 0.45
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 1/20 0.43
AKR1C3 P42330 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PKM P14618 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
PGR P06401 1/20 0.42
CYP2D6 P10635 1/20 0.42
HPGD P15428 1/20 0.42
SLC6A2 P23975 1/20 0.42
PDE4A P27815 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
HRH1 P35367 1/20 0.42

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
SCHEMBL11243111 0.89 LMNA (0.41) TP53GAALMNAHTTMAPT
SCHEMBL11245143 0.87 HPGD (0.44) TP53GAASMN1; SMN2POLBAKR1C3
SCHEMBL11403084 0.77 POLB (0.41) TP53LMNAHTTMAPTSMN1; SMN2
SCHEMBL11178376 0.73 IMPDH2 (0.39) GAALMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL2771325 0.73 TP53 (0.56) TP53GAALMNAHTTMAPT
SCHEMBL9217336 0.72 AKR1C3 (0.68) TP53HTTMAPTPOLBAKR1C3
SCHEMBL28384878 0.71 AKR1C3 (0.61) TP53GAALMNAHTTMAPT
SCHEMBL257274 0.71 MAPT (0.62) TP53GAALMNAHTTMAPT
SCHEMBL2528738 0.71 C5AR1 (0.70) GAALMNAHTTMAPTSMN1; SMN2
SCHEMBL10801707 0.71 NPSR1 (0.55) TP53GAALMNAHTTMAPT

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-4316042-A Substituted carboxyalkoxyaminodihydrobenzophenones SANDOZ LTD. (CH) 1982-02-16 US disclosed