SCHEMBL13680976

SCHEMBL13680976

O=CCCc1ccc(-c2ccc3[nH]c(=O)[nH]c3c2)o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.50
GAA P10253 7/20 0.50
TP53 P04637 3/20 0.50
THRB P10828 2/20 0.50
LMNA P02545 1/20 0.44
TERT O14746 2/20 0.41
PDE3B Q13370 2/20 0.41
PDE3A Q14432 2/20 0.41
GRIA1 P42261 4/20 0.39
CACNG8 Q8WXS5 4/20 0.39
PKM P14618 3/20 0.36
ALDH1A1 P00352 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
GFER P55789 1/20 0.34
TSHR P16473 1/20 0.34
PPARG P37231 1/20 0.34
NCOA2 Q15596 1/20 0.34

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
SCHEMBL13680975 0.81 PDE3B (0.48) MAPTGAATP53THRBLMNA
SCHEMBL13680977 0.80 CA12 (0.40) MAPTGAATP53THRBPDE3B
SCHEMBL13680904 0.77 NPC1 (0.45) MAPT
SCHEMBL13680972 0.76 ALDH1A1 (0.45) MAPTGAATP53LMNATERT
SCHEMBL13680971 0.75 TERT (0.44) MAPTTP53TERTALDH1A1HPGD
SCHEMBL13681029 0.74 ALDH1A1 (0.36) MAPTLMNAPKMALDH1A1NPSR1
SCHEMBL13680864 0.73 ALDH1A1 (0.63) MAPTTHRBPKMALDH1A1NPSR1
SCHEMBL13680866 0.73 ALDH1A1 (0.60) MAPTTP53THRBLMNAPKM
SCHEMBL13680887 0.73 ALDH1A1 (0.46) MAPTLMNAPKMALDH1A1NPSR1
SCHEMBL13680595 0.73 GRIA1 (0.53) MAPTGAATP53THRBLMNA

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