SCHEMBL13680561

SCHEMBL13680561

Cc1ccc(-c2ccc(OC(=O)N(C)C)cc2)o1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.59
TSHR P16473 2/20 0.50
ALDH1A1 P00352 3/20 0.46
GAA P10253 2/20 0.46
PKM P14618 2/20 0.46
KMT2A Q03164 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NCEH1 Q6PIU2 1/20 0.45
ACHE P22303 5/20 0.41
BCHE P06276 5/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 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
SCHEMBL13680520 0.82 LMNA (0.53) RAB9ATSHRALDH1A1GAAPKM
SCHEMBL13680467 0.81 KIF11 (0.46) RAB9AALDH1A1GAAPKMKMT2A
SCHEMBL13680512 0.78 ALDH1A1 (0.45) RAB9AALDH1A1GAAPKMKMT2A
SCHEMBL6450091 0.77 RAB9A (1.00) RAB9ATSHRALDH1A1GAAPKM
SCHEMBL13680494 0.76 ALDH1A1 (0.46) RAB9AALDH1A1GAAPKMKMT2A
SCHEMBL13680895 0.76 ALDH1A1 (0.48) RAB9ATSHRALDH1A1GAAPKM
P-Tolyl Dimethylcarbamate SCHEMBL360147 0.74 RAB9A (0.83) RAB9ATSHRALDH1A1GAAPKM
SCHEMBL23197679 0.73 TDP1 (0.56) RAB9ATSHRALDH1A1GAAKMT2A
SCHEMBL30738654 0.73 RAB9A (0.73) RAB9ATSHRALDH1A1GAAPKM
SCHEMBL13680560 0.72 GSK3B (0.59) RAB9ATSHRALDH1A1GAAPKM

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