SCHEMBL8918640

SCHEMBL8918640

C=CCOS(=O)(=O)OC(CC)CCCCC.[NaH]

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
TP53 P04637 1/20 0.31
CTSK P43235 1/20 0.31
ADH1B P00325 1/20 0.30
ADH1C P00326 1/20 0.30
ADH1A P07327 1/20 0.30
ADH4 P08319 1/20 0.30
ADH7 P40394 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL8994524 0.92 TSHR (0.38) TSHRTP53ADH1BADH1CADH1A
SCHEMBL11367730 0.84 TP53 (0.35) TSHRTP53ALDH1A1
SCHEMBL28058761 0.80 TP53 (0.40) TSHRTP53CTSKADH1BADH1C
SCHEMBL318192 0.80 TP53 (0.41) TP53
SCHEMBL10787842 0.80 CA1 (0.46) TSHR
SCHEMBL8764616 0.78 TP53 (0.39) TP53
SCHEMBL27647758 0.75 TP53 (0.37) TP53
SCHEMBL28032104 0.75 TP53 (0.36) TSHRTP53CTSK
Methylamine SCHEMBL28289036 0.75 CA1 (0.49) TSHRTP53
SCHEMBL28325685 0.75 CA1 (0.38) TSHRTP53

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-5616230-A PRETREATING A SILANE- AND ANIONIC SURFACTANT-TREATED SUBSTRATE WITH A PALLADIUM COMPOUND AND AMINO-CONTAINING SULFUR COMPOUND FOLLOWED BY CHEMICAL REDUCTION AND PALLADIUM DEPOSITION OKUNO CHEMICAL INDUSTRIES CO., LTD. (JP) 1997-04-01 US disclosed