SCHEMBL6009523

SCHEMBL6009523

CCOc1ccccc1-c1ccc([C]=O)o1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.59
HPGD P15428 6/20 0.59
MAPT P10636 4/20 0.59
SLC9A1 P19634 1/20 0.52
KDM4E B2RXH2 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 1/20 0.51
PPARG P37231 1/20 0.43
STAT3 P40763 1/20 0.43
NCOA2 Q15596 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
PTPRC P08575 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 1/20 0.39
HSP90AA1 P07900 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL6009556 0.80 SLC9A1 (0.56) ALDH1A1HPGDMAPTSLC9A1KDM4E
SCHEMBL6010443 0.79 SLC9A1 (0.52) ALDH1A1HPGDMAPTSLC9A1KDM4E
SCHEMBL28223719 0.78 ALDH1A1 (0.61) ALDH1A1HPGDMAPTSLC9A1KDM4E
SCHEMBL6009527 0.76 ALDH1A1 (0.59) ALDH1A1HPGDMAPTSLC9A1KDM4E
SCHEMBL4944722 0.74 ALDH1A1 (0.77) ALDH1A1HPGDMAPTSLC9A1KDM4E
SCHEMBL11823272 0.73 ALDH1A1 (0.51) ALDH1A1HPGDMAPTSLC9A1KDM4E
SCHEMBL27669256 0.72 ALDH1A1 (0.63) ALDH1A1HPGDMAPTSLC9A1KDM4E
SCHEMBL198911 0.72 ALDH1A1 (0.60) ALDH1A1HPGDMAPTKDM4EPPARG
SCHEMBL6210584 0.70 NQO1 (0.34) ALDH1A1HPGDMAPTKDM4ENPC1
SCHEMBL28954520 0.69 SIRT1 (0.54) ALDH1A1HPGDMAPTSLC9A1KDM4E

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