SCHEMBL18801893

SCHEMBL18801893

COC(=O)C1OC(c2ccccc2)OC1c1ccccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 4/20 0.40
GLA P06280 4/20 0.40
GAA P10253 4/20 0.40
HPGD P15428 2/20 0.40
CASP1 P29466 2/20 0.40
CASP7 P55210 2/20 0.40
HSD17B10 Q99714 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
MAPK1 P28482 1/20 0.39
POLB P06746 1/20 0.39
BACE1 P56817 1/20 0.38
CYP2D6 P10635 2/20 0.38
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
MAPT P10636 1/20 0.37
ITGA4 P13612 1/20 0.37
FABP5 Q01469 1/20 0.36
SIRT1 Q96EB6 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
SCHEMBL16808388 1.00 TSHR (0.40) TSHRALDH1A1KDM4EGLAGAA
SCHEMBL16808462 1.00 TSHR (0.40) TSHRALDH1A1KDM4EGLAGAA
SCHEMBL27085617 1.00 TSHR (0.40) TSHRALDH1A1KDM4EGLAGAA
SCHEMBL27085629 1.00 TSHR (0.40) TSHRALDH1A1KDM4EGLAGAA
SCHEMBL16808479 0.87 PDE5A (0.41) TSHRALDH1A1KDM4EGAAHPGD
SCHEMBL18801834 0.87 PDE5A (0.41) TSHRALDH1A1KDM4EGAAHPGD
SCHEMBL16808486 0.87 PDE5A (0.41) TSHRALDH1A1KDM4EGAAHPGD
SCHEMBL9692787 0.87 ALDH1A1 (0.47) TSHRALDH1A1KDM4EGLAGAA
SCHEMBL18186731 0.85 TSHR (0.44) TSHRALDH1A1KDM4EGAAHPGD
SCHEMBL28364992 0.85 TSHR (0.44) TSHRALDH1A1KDM4EGAAHPGD

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
EP-3443959-A1 SULFAMATE DERIVATIVE COMPOUNDS FOR USE IN TREATING OR ALLEVIATING PAIN Bio-Pharm Solutions Co., Ltd. (KR) 2019-02-20 EP disclosed
EP-2861571-B1 PHENYLALKYL SULFAMATE COMPOUND AND MUSCLE RELAXANT COMPOSITION COMPRISING THE SAME BIO-PHARM SOLUTIONS CO LTD (KR) 2017-05-03 EP disclosed