SCHEMBL2014802

SCHEMBL2014802

CC1C[CH]C(c2ccco2)CC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
KMT2A Q03164 4/20 0.44
HPGD P15428 1/20 0.44
TDP1 Q9NUW8 4/20 0.44
POLB P06746 4/20 0.44
MAPT P10636 4/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.39
RECQL P46063 2/20 0.39
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
NPC1 O15118 1/20 0.38
CHRM2 P08172 3/20 0.37
CHRM4 P08173 3/20 0.37
CHRM5 P08912 3/20 0.37
CHRM1 P11229 3/20 0.37
CHRM3 P20309 3/20 0.37
MAPK1 P28482 4/20 0.36
MEN1 O00255 2/20 0.36
ALOX15 P16050 2/20 0.36

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
SCHEMBL6940138 0.76
SCHEMBL27726578 0.66 ALDH1A1 (0.46) ALDH1A1KMT2AHPGDTDP1POLB
SCHEMBL461696 0.63 ALDH1A1 (0.42) ALDH1A1KMT2AHPGDTDP1POLB
SCHEMBL1177894 0.62 POLB (0.62) ALDH1A1KMT2AHPGDTDP1POLB
SCHEMBL1782631 0.61 POLB (0.56) ALDH1A1KMT2AHPGDTDP1POLB
SCHEMBL9141580 0.61
SCHEMBL28852941 0.61 MAPT (0.52) ALDH1A1KMT2AHPGDTDP1POLB
SCHEMBL12464054 0.61 GAA (0.54) ALDH1A1KMT2AHPGDTDP1POLB
SCHEMBL4056038 0.61 GAA (0.54) ALDH1A1KMT2AHPGDTDP1POLB
SCHEMBL1177395 0.61 POLB (1.00) ALDH1A1KMT2AHPGDTDP1POLB

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
WO-2011073929-A1 6-(2-FURYL)-3-METHYL-4-OXO-1,5,6,7-TETRAHYDROINDOLE-2-CARBOXYLATE DERIVATIVES AND USES THEREOF ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2011-06-23 WO disclosed