SCHEMBL8178997

SCHEMBL8178997

CCC(C)CC(C)(C)C.O=S(=O)(c1ccccc1C(Br)(Br)Br)c1ccccc1C(Br)(Br)Br

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.32
GAA P10253 1/20 0.32
ALDH1A1 P00352 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL294598 0.79 GAA (0.46) HSD11B1GAA
SCHEMBL8178989 0.73 PSIP1 (0.40) HSD11B1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL10180435 0.69 NPC1 (0.41) HSD11B1GAASMN1; SMN2
SCHEMBL4930571 0.69 HTR6 (0.53) HSD11B1GAAALDH1A1NPSR1TSHR
SCHEMBL11520554 0.69 GAA (0.40) HSD11B1GAA
SCHEMBL15503 0.69
SCHEMBL10405248 0.68 HSD11B1 (0.34) HSD11B1GAA
SCHEMBL9360088 0.67 HSD11B1 (0.54) HSD11B1GAAALDH1A1TSHR
SCHEMBL1554734 0.67 TSHR (0.31) ALDH1A1SMN1; SMN2TSHR
SCHEMBL26027383 0.67 HSD11B1 (0.39) HSD11B1GAAALDH1A1TSHR

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
US-6060228-A BACKING LAYER CONTAINS A METHINE DYE HAVING SPECIFIC MAXIMUM ABSORPTION WAVELENGTH FUJI PHOTO FILM CO., LTD. (JP) 2000-05-09 US disclosed