SCHEMBL6009499

SCHEMBL6009499

COc1ccc(Cl)cc1-c1ccc([C]=O)o1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.62
HPGD P15428 5/20 0.62
SLC9A1 P19634 9/20 0.54
NPC1 O15118 1/20 0.44
TSHR P16473 1/20 0.44
STAT3 P40763 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
USP2 O75604 1/20 0.44
PRNP P04156 1/20 0.44
PPARG P37231 1/20 0.44
MAPK10 P53779 1/20 0.44
NCOA2 Q15596 1/20 0.44
NCOA1 Q15788 1/20 0.44
HSD17B10 Q99714 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 2/20 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
SCHEMBL6009508 0.85 SLC9A1 (0.56) ALDH1A1HPGDSLC9A1TSHRKDM4E
SCHEMBL6009556 0.85 SLC9A1 (0.56) ALDH1A1HPGDSLC9A1TSHRKDM4E
SCHEMBL6010133 0.77 SLC9A1 (0.51) ALDH1A1HPGDSLC9A1TSHRHSD17B10
SCHEMBL6009501 0.77 ALDH1A1 (0.62) ALDH1A1HPGDSLC9A1NPC1TSHR
SCHEMBL2324496 0.76 MAPT (0.46) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL4944323 0.75 ALDH1A1 (0.77) ALDH1A1HPGDSLC9A1KDM4ETDP1
SCHEMBL7699644 0.73 ALDH1A1 (0.56) ALDH1A1HPGDSMN1; SMN2KDM4ENPSR1
SCHEMBL4537678 0.70 SLC9A1 (1.00) ALDH1A1HPGDSLC9A1
SCHEMBL4537674 0.69 ALDH1A1 (0.65) ALDH1A1HPGDSLC9A1MAPTS1PR2
SCHEMBL95805 0.69 PTGDR2 (0.48) ALDH1A1HPGDRAB9ASMN1; SMN2KDM4E

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