SCHEMBL3967770

SCHEMBL3967770

C=CCOc1cccc(C=O)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP3A4 P08684 1/20 0.43
CYP2A6 P11509 1/20 0.43
LIG1 P18858 1/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
CTSL P07711 1/20 0.38
CTSS P25774 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
SCHEMBL1482988 0.82 ALDH1A1 (0.68) HPGDTSHRMAPK1HSD17B10ALDH1A1
SCHEMBL29690311 0.82 ALDH1A1 (0.68) HPGDTSHRMAPK1HSD17B10ALDH1A1
SCHEMBL3944635 0.81 HPGD (0.49) HPGDTSHRMAPK1HSD17B10ALDH1A1
SCHEMBL28190797 0.80 HPGD (0.47) HPGDTSHRMAPK1HSD17B10ALDH1A1
SCHEMBL5042380 0.80 ERN1 (0.57) HPGDTSHRMAPK1HSD17B10ALDH1A1
SCHEMBL2522004 0.80 HPGD (0.47) HPGDTSHRMAPK1HSD17B10ALDH1A1
SCHEMBL1579244 0.79 ALDH1A1 (0.48) HPGDMAPK1ALDH1A1HTTSMN1; SMN2
SCHEMBL5460266 0.79 HTR2C (0.46) HPGDTSHRMAPK1HSD17B10ALDH1A1
SCHEMBL20690103 0.79 HPGD (0.46) HPGDTSHRMAPK1HSD17B10ALDH1A1
SCHEMBL28623220 0.78 ALDH1A1 (0.56) HPGDALDH1A1HTTSMN1; 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-1363876-B1 GLUCOCORTICOID RECEPTOR MODULATORS KAROBIO AB (SE) 2009-07-29 EP disclosed