SCHEMBL8190056

SCHEMBL8190056

C=C(C)C(=O)OC(C[N+](C)(C)C)S(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
CHRM2 P08172 2/20 0.39
CHRM4 P08173 2/20 0.39
CHRM1 P11229 2/20 0.39
TBXA2R P21731 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 2/20 0.38
GALR3 O60755 1/20 0.38
BLM P54132 1/20 0.38
LMNA P02545 3/20 0.34
CHRM5 P08912 1/20 0.34
CHRM3 P20309 1/20 0.34
CYP2C9 P11712 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
HRH1 P35367 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.33
THRB P10828 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
SCHEMBL27712762 0.82 CHRM1 (0.53) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL2213072 0.81 TSHR (0.53) TSHRALDH1A1THRB
SCHEMBL5176837 0.80 TSHR (0.38) TSHRALDH1A1THRB
Iodide SCHEMBL28794981 0.80 CHRM1 (0.52) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL11440456 0.80 TSHR (0.38) TSHRALDH1A1THRB
SCHEMBL14981 0.80 TSHR (0.38) TSHRALDH1A1THRB
SCHEMBL5697328 0.79 TSHR (0.37) TSHRALDH1A1THRB
SCHEMBL219269 0.79 TSHR (0.37) TSHRALDH1A1THRB
SCHEMBL444304 0.79 TSHR (0.37) TSHRALDH1A1THRB
SCHEMBL483980 0.77 ALDH1A1 (0.39) TSHRCHRM1CHRM3HRH1ALDH1A1

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
US-6046289-A FOR INHIBITING COAGULATION OF BLOOD PLATELETS, INHIBITING ADHESION OF ANIMAL CELLS, OR AS SUBSTRATE FOR CULTURING ANIMAL CELLS FUJIFILM CORPORATION (JP) 2000-04-04 US disclosed
EP-0488258-B1 Propenamide derivatives, polymers, copolymers and use thereof FUJI PHOTO FILM CO LTD (JP) 1996-04-17 EP disclosed
EP-0488258-A2 Propenamide derivatives, polymers, copolymers and use thereof FUJI PHOTO FILM CO., LTD. (JP) 1992-06-03 EP disclosed