SCHEMBL13680868

SCHEMBL13680868

O=CCCc1ccc(-c2ccc(OC(F)(F)F)cc2)o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 3/20 0.49
ALDH1A1 P00352 8/20 0.43
MAPT P10636 5/20 0.43
KDM4E B2RXH2 5/20 0.43
PKM P14618 4/20 0.43
SCN10A Q9Y5Y9 1/20 0.41
PIM1 P11309 1/20 0.39
NOTUM Q6P988 1/20 0.39
MCHR1 Q99705 1/20 0.38
PRKDC P78527 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
HPGD P15428 3/20 0.37
HTT P42858 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GFER P55789 1/20 0.37
TSHR P16473 1/20 0.37
PPARG P37231 1/20 0.37

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
SCHEMBL13680869 0.81 PRMT1 (0.46) PRMT1ALDH1A1MAPTKDM4EPKM
SCHEMBL13680867 0.81 ALDH1A1 (0.63) ALDH1A1MAPTKDM4EPKMNPSR1
SCHEMBL13680901 0.81 CYP1A2 (0.36) PRMT1ALDH1A1MAPTKDM4EPKM
SCHEMBL22042121 0.78 PRMT1 (0.54) PRMT1ALDH1A1MAPTKDM4EPKM
SCHEMBL5124585 0.78 ALDH1A1 (0.60) PRMT1ALDH1A1MAPTKDM4ESCN10A
SCHEMBL13680877 0.77 HTR6 (0.52) ALDH1A1MAPTKDM4EPKMNPSR1
SCHEMBL13680879 0.77 ALDH1A1 (0.48) ALDH1A1MAPTKDM4EPKMNPSR1
SCHEMBL13680887 0.76 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EPKMNPSR1
SCHEMBL13680864 0.76 ALDH1A1 (0.63) ALDH1A1MAPTKDM4EPKMNPSR1
SCHEMBL13680866 0.76 ALDH1A1 (0.60) ALDH1A1MAPTKDM4EPKMNPSR1

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
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed