SCHEMBL8961255

SCHEMBL8961255

CC=CC(=O)NC(C)CS(=O)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.38
TAAR1 Q96RJ0 1/20 0.35
ALDH1A1 P00352 3/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
TP53 P04637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31

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
SCHEMBL8961250 1.00 ACACB (0.38) ACACBTAAR1ALDH1A1GAATSHR
SCHEMBL28750633 0.83 TSHR (0.52) ACACBALDH1A1TSHRMAPK1CYP2C19
SCHEMBL36064 0.83 TSHR (0.52) ACACBALDH1A1TSHRMAPK1CYP2C19
SCHEMBL7211832 0.82 ACACB (0.36) ACACBTAAR1ALDH1A1GAATSHR
SCHEMBL7211824 0.82 ACACB (0.36) ACACBTAAR1ALDH1A1GAATSHR
SCHEMBL10638254 0.81 TSHR (0.50) ACACBALDH1A1TSHRMAPK1CYP2C19
Ammonia Solution, Strong SCHEMBL31228295 0.81 TSHR (0.50) ACACBALDH1A1TSHRMAPK1CYP2C19
SCHEMBL20450459 0.76 TAS1R3 (0.47) ACACBTAAR1ALDH1A1GAATSHR
SCHEMBL11860565 0.74 MTNR1A (0.38) ACACBALDH1A1
SCHEMBL20586386 0.73 CNR2 (0.45) ACACBTAAR1ALDH1A1GAATSHR

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
EP-0558612-B1 POLYMER BLENDS FOR AQUEOUS DISPERSIONS HAVING IMPROVED FREEZE-THAW STABILITY EASTMAN CHEM CO (US) 1996-01-10 EP claimed