SCHEMBL10486972

SCHEMBL10486972

COc1cc(C=O)ccc1Sc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.55
ALDH1A1 P00352 9/20 0.54
TSHR P16473 1/20 0.54
HPGD P15428 5/20 0.50
TDP1 Q9NUW8 2/20 0.50
TRIM24 O15164 1/20 0.50
ALDH5A1 P51649 1/20 0.50
ABAT P80404 1/20 0.50
TRIM33 Q9UPN9 1/20 0.50
FDPS P14324 1/20 0.47
AOX1 Q06278 1/20 0.46
MAPT P10636 6/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
CYP2C9 P11712 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL5113878 0.88 TTR (0.55) TTRALDH1A1TSHRHPGDTDP1
SCHEMBL5107315 0.83 TTR (0.57) TTRALDH1A1TSHRHPGDTDP1
SCHEMBL2706885 0.82 FNTA (0.41) TTRALDH1A1TSHRHPGDTDP1
SCHEMBL6540562 0.81 AR (0.50) TTRALDH1A1TSHRHPGDTDP1
SCHEMBL5605402 0.81 TTR (0.48) TTRALDH1A1TSHRHPGDTDP1
SCHEMBL30845321 0.78 ALDH1A1 (0.63) TTRALDH1A1TSHRHPGDTDP1
SCHEMBL9529019 0.78 ALDH1A1 (0.63) TTRALDH1A1TSHRHPGDTDP1
SCHEMBL24765638 0.78 ALDH1A1 (0.53) TTRALDH1A1TSHRHPGDTDP1
SCHEMBL6517248 0.77 ALDH1A1 (0.41) TTRALDH1A1HPGDTDP1MAPT
SCHEMBL9954218 0.76 ALDH1A1 (0.50) TTRALDH1A1TSHRHPGDTDP1

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
JP-1009971-A None JP disclosed