SCHEMBL7155154

SCHEMBL7155154

O=C1CC(C(=O)O)c2c1ccc1ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.48
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ANPEP P15144 1/20 0.39
KDM4E B2RXH2 2/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
RCE1 Q9Y256 1/20 0.39
NR4A1 P22736 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.38

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
SCHEMBL28305259 0.77 CYP1A2 (0.37) CYP19A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL7154204 0.75 WDR5 (0.45) CYP19A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL30356308 0.71 KIF11 (0.39) CYP19A1ALDH1A1HSD17B10KDM4ESIRT2
SCHEMBL7220291 0.71 ACHE (0.40) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL28850201 0.69 ALDH1A1 (0.53) CYP19A1ALDH1A1MEN1HPGDKMT2A
SCHEMBL916737 0.69 ALDH1A1 (0.53) CYP19A1ALDH1A1MEN1HPGDKMT2A
SCHEMBL28518367 0.68 CYP1A2 (0.34) CYP19A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL13938126 0.68 ACHE (0.45) ALDH1A1MEN1HPGDKMT2AHSD17B10
SCHEMBL2791039 0.68 CYP1A2 (0.54) CYP1A2CYP2D6CYP2C9CYP2C19HIF1A
SCHEMBL5971471 0.66 CYP1A2 (0.49) CYP1A2CYP2D6CYP2C9CYP2C19HIF1A

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-6534627-B1 Using FMOC (9-fluorenylmethyloxycarbonyl) and tert-butyl containing compounds as protecting group; efficiency and storage stability RESEARCH CORPORATION TECNOLOGIES, INC. 2003-03-18 US disclosed