SCHEMBL28118613

SCHEMBL28118613

O=S(=O)(O)C1C=CC=CO1.c1ccc2c(c1)CCCC2

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
PMP22 Q01453 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL2719155 0.80
SCHEMBL9715421 0.68 TSHR (0.62) TSHRLMNATHRBPMP22HSD17B10
Sulfuric Acid SCHEMBL28316076 0.68 TSHR (0.60) TSHRLMNATHRBPMP22HSD17B10
SCHEMBL31091056 0.65
SCHEMBL937506 0.65 TSHR (0.55) TSHRLMNATHRBPMP22HSD17B10
Sulfamate SCHEMBL16687154 0.65 TSHR (0.55) TSHRLMNATHRBPMP22HSD17B10
Hydrogen Peroxide SCHEMBL298462 0.63 TSHR (0.87) TSHR
Hydrogen Peroxide SCHEMBL30110573 0.63 TSHR (0.87) TSHR
SCHEMBL385555 0.63 TSHR (1.00) TSHR
SCHEMBL11606739 0.63 TSHR (1.00) TSHR

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
CN-106565742-A Indolone screw tetralin sulfo-pyran derivative and preparing method and application thereof 中国人民解放军第四军医大学 2017-04-19 CN disclosed
CN-106565742-A Indolone screw tetralin sulfo-pyran derivative and preparing method and application thereof 中国人民解放军第四军医大学 2017-04-19 CN disclosed