SCHEMBL20749067

SCHEMBL20749067

CCOC(=O)C1OC(C)(C)OC1c1ccccc1C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MAPT P10636 3/20 0.40
HTT P42858 2/20 0.40
ALDH1A1 P00352 5/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
SIGMAR1 Q99720 1/20 0.38
CACNA1C Q13936 2/20 0.38
POLB P06746 1/20 0.38
HSD17B10 Q99714 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 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
SCHEMBL29418607 0.86 ALDH1A1 (0.46) TSHRCA1CA2MAPTHTT
SCHEMBL15540261 0.86 ALDH1A1 (0.46) TSHRCA1CA2MAPTHTT
SCHEMBL28364982 0.86 ALDH1A1 (0.46) TSHRCA1CA2MAPTHTT
SCHEMBL28885159 0.86 ALDH1A1 (0.46) TSHRCA1CA2MAPTHTT
SCHEMBL15540019 0.86 ALDH1A1 (0.46) TSHRCA1CA2MAPTHTT
SCHEMBL15538398 0.86 ALDH1A1 (0.46) TSHRCA1CA2MAPTHTT
SCHEMBL14626064 0.83 TSHR (0.66) TSHRMAPTHTTALDH1A1CYP1A2
SCHEMBL14626063 0.83 TSHR (0.66) TSHRMAPTHTTALDH1A1CYP1A2
SCHEMBL18169376 0.81 CYP3A4 (0.38) TSHRMAPTHTTALDH1A1HPGD
SCHEMBL18169378 0.81 CYP3A4 (0.38) TSHRMAPTHTTALDH1A1HPGD

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
EP-3443959-A1 SULFAMATE DERIVATIVE COMPOUNDS FOR USE IN TREATING OR ALLEVIATING PAIN Bio-Pharm Solutions Co., Ltd. (KR) 2019-02-20 EP disclosed