SCHEMBL14458093

SCHEMBL14458093

CC(=O)c1nc(O)ccc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.38
CA9 Q16790 1/20 0.35
GRM5 P41594 1/20 0.35
PKM P14618 1/20 0.34
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
IKBKB O14920 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPK1 P28482 2/20 0.33
ALOX15 P16050 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP3A4 P08684 1/20 0.33
PRKCI P41743 1/20 0.32
HSD17B1 P14061 2/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL718585 0.80 THRB (0.37) THRBCA9GRM5PKMHPGD
SCHEMBL12647208 0.80 GRM5 (0.53) THRBGRM5PKMHPGDSMN1; SMN2
SCHEMBL5657033 0.79 ALDH1A1 (0.43) THRBCA9HPGDSMN1; SMN2ALDH1A1
SCHEMBL17706530 0.78 THRB (0.35) THRBCA9GRM5PKMHPGD
SCHEMBL721848 0.78 ALDH1A1 (0.42) THRBCA9GRM5PKMHPGD
SCHEMBL20631742 0.75 PRKCI (0.44) IKBKBALDH1A1GAAMAPTPRKCI
SCHEMBL14458102 0.75 POLB (0.44) HPGDALDH1A1MEN1KMT2AMAPK1
SCHEMBL25309343 0.72 KDM4E (0.46) CA9HPGDSMN1; SMN2ALDH1A1GAA
SCHEMBL4798197 0.72 FTO (0.59) HPGDSMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL1798438 0.71 ESR1 (0.33) THRBPKMHPGDIKBKBALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7250389-B1 Antifungal compound and process for producing the same MEIJI SEIKA KAISHA, LTD. (JP) 2007-07-31 US disclosed
US-7250389-B1 Antifungal compound and process for producing the same MEIJI SEIKA KAISHA, LTD. (JP) 2007-07-31 US disclosed