SCHEMBL317173

SCHEMBL317173

CCc1c(C)ccc2c1c(-c1cc(C)nc3ccc(OC)cc13)c(C)n2CC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.49
KDM4E B2RXH2 3/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ALDH1A1 P00352 3/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PPARG P37231 1/20 0.40
NCOA2 Q15596 1/20 0.40
NCOA1 Q15788 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
AKR1B10 O60218 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL316963 0.82 PTGDR2 (0.73) PTGDR2KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL2960869 0.81 PTGDR2 (0.71) PTGDR2KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL2960863 0.81 PTGDR2 (0.71) PTGDR2KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL317756 0.80 PTGDR2 (0.70) PTGDR2ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL2960865 0.74 PTGDR2 (0.61) PTGDR2KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL318053 0.70 PTGDR2 (0.75) PTGDR2KDM4ECYP2C9CYP2C19NPSR1
SCHEMBL318378 0.70 PTGDR2 (0.66) PTGDR2HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL1757819 0.66 PTGDR2 (0.62) PTGDR2KDM4ECYP3A4CYP2C9CYP2C19
SCHEMBL317520 0.65 PTGDR2 (0.79) PTGDR2CYP2C9CYP2C19
SCHEMBL8366867 0.65 KDM4E (0.61) KDM4EHPGDHSD17B10ALDH1A1POLB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093278-B2 Substituted indoles ASTRAZENECA AB (SE) 2012-01-10 US disclosed