SCHEMBL3174745

SCHEMBL3174745

C=C(C)C(=O)OCCN(C)C.C=C(CC)C(=O)O.C=C(CCCCC)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 3/20 0.50
TSHR P16473 2/20 0.50
THRB P10828 4/20 0.38
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
PGGT1B P53609 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRM3 P20309 1/20 0.34
CHRNA4 P43681 1/20 0.34
LMNA P02545 2/20 0.33
NAAA Q02083 1/20 0.33
DGKA P23743 1/20 0.33
ESR1 P03372 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAOA P21397 1/20 0.33
CNR1 P21554 1/20 0.33

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
SCHEMBL4165362 0.96 TSHR (0.54) DNM1TSHRTHRBFNTAFNTB
SCHEMBL9667032 0.91 TSHR (0.63) DNM1TSHRTHRBCHRM2CHRM4
SCHEMBL2008381 0.89 THRB (0.46) DNM1TSHRTHRBCHRM2CHRM4
SCHEMBL4916842 0.87 TSHR (0.54) DNM1TSHRTHRBFNTAFNTB
SCHEMBL666460 0.86 TSHR (0.42) DNM1TSHRTHRBCHRM2CHRM4
Bromide SCHEMBL4913238 0.86 TSHR (0.52) DNM1TSHRTHRBFNTAFNTB
SCHEMBL4162830 0.85 TSHR (0.54) DNM1TSHRTHRBNAAAKDM4E
Hydrochloric Acid SCHEMBL11323570 0.84 TSHR (0.53) DNM1TSHRTHRBNAAAKDM4E
Dodecanoate SCHEMBL5972235 0.84 TSHR (0.59) DNM1TSHRESR1TDP1
SCHEMBL664291 0.83 TSHR (0.67) TSHRTHRBFNTAFNTBPGGT1B

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-7649675-B2 Toner compositions for dry-powder electrophoretic displays PALO ALTO RESEARCH CENTER INCORPORATED 2010-01-19 US claimed