SCHEMBL6009527

SCHEMBL6009527

CCOc1ccccc1-c1ccc(C=O)o1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.59
MAPT P10636 8/20 0.59
HPGD P15428 7/20 0.59
KDM4E B2RXH2 10/20 0.52
SLC9A1 P19634 1/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
POLB P06746 4/20 0.50
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HSP90AA1 P07900 1/20 0.45
MEN1 O00255 3/20 0.44
RECQL P46063 3/20 0.44
KMT2A Q03164 3/20 0.44
PKM P14618 2/20 0.44
HTT P42858 1/20 0.44
TP53 P04637 1/20 0.44
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL2551317 0.83 KDM4E (0.66) ALDH1A1MAPTHPGDKDM4ESLC9A1
SCHEMBL3039674 0.82 KDM4E (0.51) ALDH1A1MAPTHPGDKDM4ENPC1
SCHEMBL6009560 0.80 SLC9A1 (0.56) ALDH1A1MAPTHPGDKDM4ESLC9A1
SCHEMBL6010447 0.79 ALDH1A1 (0.52) ALDH1A1MAPTHPGDKDM4ESLC9A1
SCHEMBL28223719 0.78 ALDH1A1 (0.61) ALDH1A1MAPTHPGDKDM4ESLC9A1
SCHEMBL3038784 0.77 KDM4E (0.55) ALDH1A1MAPTHPGDKDM4ESLC9A1
SCHEMBL6009523 0.76 ALDH1A1 (0.59) ALDH1A1MAPTHPGDKDM4ESLC9A1
SCHEMBL3634969 0.76 ALDH1A1 (0.68) ALDH1A1MAPTHPGDKDM4ERAB9A
SCHEMBL2321506 0.74 KDM4E (0.58) ALDH1A1MAPTHPGDKDM4ESLC9A1
SCHEMBL5895993 0.74 MAPT (0.53) ALDH1A1MAPTHPGDKDM4ESLC9A1

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
EP-1697335-A1 FURANCARBONYLGUANIDINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-09-06 EP disclosed
WO-2005063727-A1 FURANCARBONYLGUANIDINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2005-07-14 WO disclosed