SCHEMBL28600329

SCHEMBL28600329

CC(Sc1ccc(Cl)cc1)C(=O)OSc1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
HPGD P15428 4/20 0.48
HSD17B10 Q99714 2/20 0.48
CYP2C9 P11712 4/20 0.47
CYP2C19 P33261 4/20 0.47
ALDH1A1 P00352 3/20 0.45
CYP1A2 P05177 3/20 0.45
CYP3A4 P08684 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 2/20 0.45
CYP2D6 P10635 2/20 0.45
HTT P42858 2/20 0.45
RAB9A P51151 1/20 0.45
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
PLA2G1B P04054 1/20 0.44
THRB P10828 1/20 0.44
NPY1R P25929 1/20 0.44
NPY2R P49146 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
SCHEMBL14346648 0.83 TSHR (0.59) TSHRHPGDHSD17B10CYP2C9CYP2C19
SCHEMBL11570417 0.81 GRIN2D (0.49) TSHRHPGDHSD17B10CYP2C9CYP2C19
SCHEMBL11189920 0.80 MAPT (0.62) TSHRHPGDHSD17B10CYP2C9CYP2C19
SCHEMBL7398296 0.77 CYP2C9 (0.66) TSHRHPGDHSD17B10CYP2C9CYP2C19
SCHEMBL13438254 0.75 TSHR (0.58) TSHRHPGDHSD17B10CYP2C9CYP2C19
SCHEMBL21332520 0.74 HSD17B10 (0.42) TSHRHPGDHSD17B10CYP2C9CYP2C19
SCHEMBL11538170 0.72 HSD17B10 (0.59) TSHRHPGDHSD17B10CYP2C9CYP2C19
SCHEMBL6635392 0.72 CYP2C19 (0.48) TSHRHSD17B10CYP2C9CYP2C19ALDH1A1
SCHEMBL11538173 0.72 HSD17B10 (0.54) TSHRHPGDHSD17B10CYP2C9CYP2C19
SCHEMBL11870204 0.71 TSHR (0.67) TSHRHPGDHSD17B10CYP2C9CYP2C19

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
CN-113260516-A Thermosensitive recording medium 株式会社理光 2021-08-13 CN disclosed