SCHEMBL13680869

SCHEMBL13680869

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.46
ALDH1A1 P00352 8/20 0.40
NPSR1 Q6W5P4 2/20 0.40
KDM4E B2RXH2 5/20 0.39
MAPT P10636 4/20 0.39
PKM P14618 4/20 0.39
HPGD P15428 2/20 0.39
HTT P42858 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
GFER P55789 1/20 0.39
TSHR P16473 1/20 0.39
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
DDAH1 O94760 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 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
SCHEMBL13334632 0.84 PRMT1 (0.48) PRMT1ALDH1A1KDM4ECYP1A2CYP2C19
SCHEMBL13680868 0.81 PRMT1 (0.49) PRMT1ALDH1A1NPSR1KDM4EMAPT
SCHEMBL13680887 0.80 ALDH1A1 (0.46) ALDH1A1NPSR1KDM4EMAPTPKM
SCHEMBL13680866 0.80 ALDH1A1 (0.60) ALDH1A1NPSR1KDM4EMAPTPKM
SCHEMBL13680864 0.80 ALDH1A1 (0.63) ALDH1A1NPSR1KDM4EMAPTPKM
SCHEMBL4438540 0.80 ALDH1A1 (0.63) PRMT1ALDH1A1NPSR1KDM4EMAPT
SCHEMBL13680885 0.79 TRPV4 (0.35) ALDH1A1NPSR1KDM4EMAPTPKM
SCHEMBL13680859 0.79 ALDH1A1 (0.60) ALDH1A1NPSR1KDM4EMAPTPKM
SCHEMBL13680979 0.77 ALDH1A1 (0.47) ALDH1A1NPSR1KDM4EMAPTPKM
SCHEMBL13680882 0.76 KDM4E (0.60) ALDH1A1NPSR1KDM4EMAPTPKM

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