SCHEMBL8326257

SCHEMBL8326257

CCOC(=O)C1=C(O)c2cc3ccccc3n2CC1C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
NOD2 Q9HC29 6/20 0.41
NOD1 Q9Y239 6/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 4/20 0.39
ADORA2B P29275 1/20 0.38
MAPT P10636 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
ALDH1A1 P00352 2/20 0.37
F10 P00742 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL8658440 0.89 KDM4E (0.40) KDM4ESMN1; SMN2CRHBPCRHR2NOD2
SCHEMBL8328796 0.86 NOD2 (0.39) KDM4ESMN1; SMN2CRHBPCRHR2NOD2
SCHEMBL8655802 0.83 MAPT (0.44) KDM4ESMN1; SMN2CRHBPCRHR2NOD2
SCHEMBL8328857 0.75 SMN1; SMN2 (0.49) KDM4ESMN1; SMN2CRHBPCRHR2NOD2
SCHEMBL8654624 0.74 GAA (0.45) KDM4ESMN1; SMN2CRHBPCRHR2NOD2
SCHEMBL8447552 0.70 ALDH1A1 (0.44) KDM4ESMN1; SMN2MEN1KMT2AMAPT
SCHEMBL18202192 0.69 HSD17B10 (0.38) KDM4EHPGDCHRM2CHRM4CHRM5
SCHEMBL8328343 0.68 ALDH1A1 (0.45) KDM4ESMN1; SMN2HPGDMAPTALDH1A1
SCHEMBL9256630 0.68 MAPT (0.41) KDM4ESMN1; SMN2MEN1KMT2AHPGD
SCHEMBL8657539 0.68 ALDH1A1 (0.47) KDM4EMEN1KMT2AHPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0470490-B1 Substituted pyrroles HOFFMANN LA ROCHE (CH) 1999-05-06 EP disclosed
US-5292747-A Substituted pyrroles HOFFMAN-LA ROCHE INC. (US) 1994-03-08 US disclosed
EP-0470490-A1 Substituted pyrroles F. HOFFMANN-LA ROCHE AG (CH) 1992-02-12 EP disclosed