SCHEMBL8634844

SCHEMBL8634844

CCN(CC)c1ccc2cc(OC(=O)ON3C(=O)CCC3=O)c(=O)oc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 11/20 0.54
KMT2A Q03164 11/20 0.54
MAPT P10636 10/20 0.54
KDM4E B2RXH2 9/20 0.54
ALDH1A1 P00352 8/20 0.54
SMN1; SMN2 Q16637 6/20 0.54
ATM Q13315 5/20 0.54
HPGD P15428 4/20 0.54
MAOB P27338 3/20 0.54
HSD17B10 Q99714 3/20 0.54
USP2 O75604 3/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C19 P33261 1/20 0.54
SLC16A3 O15427 1/20 0.54
ALOX15 P16050 1/20 0.54
SLC16A1 P53985 1/20 0.54
CYP19A1 P11511 4/20 0.53
NPSR1 Q6W5P4 3/20 0.49
LMNA P02545 3/20 0.47
CASP1 P29466 2/20 0.47

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
SCHEMBL30790593 0.84 MAOB (0.69) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL592979 0.84 MAOB (0.69) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL8640209 0.82 POLB (0.47) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL9175246 0.81 KDM4E (0.68) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL28910151 0.78 MEN1 (0.64) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL28380801 0.78 MEN1 (0.60) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL20968431 0.77 CYP19A1 (0.53) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL28910171 0.76 MEN1 (0.61) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL18396230 0.75 MAOB (0.56) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL26520555 0.75 MEN1 (0.52) MEN1KMT2AMAPTKDM4EALDH1A1

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-0558740-B1 PROBE COMPOSITION FOR GENOME IDENTIFICATION AND METHODS VYSIS INC (US) 1998-08-05 EP claimed