SCHEMBL7176185

SCHEMBL7176185

C=C(C)C(=O)O[N+](C)(C)CCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
ALDH1A1 P00352 2/20 0.39
THRB P10828 1/20 0.38
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PGR P06401 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
HTR1A P08908 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRM3 P20309 1/20 0.30
TBXA2R P21731 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA7 P36544 1/20 0.30
CHRNA4 P43681 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CHRNA10 Q9GZZ6 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
Bromide SCHEMBL1254031 0.98 TSHR (0.40) TSHRALDH1A1THRBHSD17B10TDP1
Iodide SCHEMBL1252764 0.98 TSHR (0.40) TSHRALDH1A1THRBHSD17B10TDP1
Hydrochloric Acid SCHEMBL1254833 0.98 TSHR (0.44) TSHRALDH1A1THRBHSD17B10TDP1
Fluoride Ion SCHEMBL1254046 0.98 TSHR (0.40) TSHRALDH1A1THRBHSD17B10TDP1
Iodide SCHEMBL1254903 0.86 TSHR (0.46) TSHRALDH1A1THRBHSD17B10TDP1
Bromide SCHEMBL1254927 0.86 TSHR (0.46) TSHRALDH1A1THRBHSD17B10TDP1
Fluoride Ion SCHEMBL1252801 0.86 TSHR (0.46) TSHRALDH1A1THRBHSD17B10TDP1
Hydrochloric Acid SCHEMBL1254851 0.86 TSHR (0.50) TSHRALDH1A1THRBHSD17B10TDP1
SCHEMBL28295646 0.85 TSHR (0.53) TSHR
Bromide SCHEMBL28497426 0.83 TSHR (0.51) TSHRALDH1A1HSD17B10SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0857752-B1 RUBBER COMPOSITION AND PNEUMATIC TIRE MADE BY USING THE SAME BRIDGESTONE CORP (JP) 2003-07-23 EP disclosed
US-5939484-A RUBBER COMPOSITION COMPRISING NATURAL RUBBER AND/OR DIENE SYNTHETIC RUBBERS, SILICA, SILANE COUPLING AGENT, I.E., A BIS(ALKOXYSILYLALKYL) POLYSULFIDE, SILICA DISPERSION; TIRE TREAD BRIDGESTONE CORPORATION (JP) 1999-08-17 US disclosed
EP-0857752-A2 RUBBER COMPOSITION AND PNEUMATIC TIRE MADE BY USING THE SAME Bridgestone Corporation (JP) 1998-08-12 EP disclosed