SCHEMBL6009508

SCHEMBL6009508

CC(C)Oc1ccc(Cl)cc1-c1ccc([C]=O)o1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 6/20 0.56
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
ADORA3 P0DMS8 2/20 0.37
MDM2 Q00987 2/20 0.37
RORC P51449 1/20 0.35
MAP2 P11137 1/20 0.34
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
TSHR P16473 1/20 0.34
HTR2B P41595 1/20 0.34
S1PR4 O95977 2/20 0.33
S1PR2 O95136 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33
UGCG Q16739 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL6009499 0.85 ALDH1A1 (0.62) SLC9A1ALDH1A1HPGDTSHRS1PR4
SCHEMBL6009556 0.81 SLC9A1 (0.56) SLC9A1ALDH1A1HPGDHTR2AHTR2C
SCHEMBL6010443 0.80 SLC9A1 (0.52) SLC9A1ALDH1A1HPGDKDM4EMAPT
SCHEMBL6009509 0.78 SLC9A1 (0.56) SLC9A1ALDH1A1HPGDADORA3MDM2
SCHEMBL4941048 0.76 SLC9A1 (0.69) SLC9A1ALDH1A1HPGDS1PR4S1PR2
SCHEMBL27649078 0.75 SLC9A1 (0.58) SLC9A1ALDH1A1HPGDADORA3MDM2
SCHEMBL27649079 0.74 SLC9A1 (0.57) SLC9A1ALDH1A1HPGDADORA3RORC
SCHEMBL6010133 0.74 SLC9A1 (0.51) SLC9A1ALDH1A1HPGDTSHRS1PR4
SCHEMBL2324496 0.73 MAPT (0.46) ALDH1A1HPGDS1PR4S1PR2S1PR3
SCHEMBL4943380 0.72 SLC9A1 (1.00) SLC9A1ALDH1A1HPGD

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