SCHEMBL6230101

SCHEMBL6230101

CC(C)(C)c1cc(-c2nc(CO)cs2)ccc1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.41
RARG P13631 1/20 0.41
KDM4E B2RXH2 7/20 0.40
ALDH1A1 P00352 6/20 0.40
HPGD P15428 4/20 0.40
GAA P10253 4/20 0.40
ESR2 Q92731 2/20 0.40
ESR1 P03372 1/20 0.40
LMNA P02545 4/20 0.40
ALOX15 P16050 2/20 0.40
HSD17B10 Q99714 2/20 0.40
NR1I2 O75469 1/20 0.40
CYP2C9 P11712 1/20 0.40
MIF P14174 1/20 0.40
TYR P14679 1/20 0.40
HTT P42858 1/20 0.40
NFE2L2 Q16236 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
SHMT1 P34896 1/20 0.38
POLB P06746 3/20 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
SCHEMBL1927808 0.84 PTGS1 (0.48)
SCHEMBL15349316 0.74 RAB9A (0.48) KDM4EALDH1A1HPGDGAALMNA
SCHEMBL6960693 0.73 PTGS1 (0.46)
SCHEMBL15762204 0.72 ALDH1A1 (0.54) KDM4EALDH1A1HPGDGAALMNA
SCHEMBL9028719 0.72 EIF4E (0.49) KDM4EALDH1A1LMNATDP1SHMT1
SCHEMBL22057644 0.72 HSD17B1 (0.64) KDM4EGAALMNAHSD17B10CYP2C9
SCHEMBL1926735 0.71 PTGS1 (0.47)
SCHEMBL16603166 0.71 RAB9A (0.69) KDM4EALDH1A1HPGDGAALMNA
SCHEMBL31146788 0.71 ALDH1A1 (0.67) RARBRARGKDM4EALDH1A1HPGD
SCHEMBL1176397 0.71 ALDH1A1 (0.67) RARBRARGKDM4EALDH1A1HPGD

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-1589007-A2 5-membered heterocycle derivatives, production thereof and their use as medicaments Societe de Conseils de Recherches et d'Applications Scientifiques (S.C.R.A.S) SAS (FR) 2005-10-26 EP disclosed