SCHEMBL2031086

SCHEMBL2031086

C=CC(=O)NC(C(C)CC)S(=O)(=O)O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
ZDHHC20 Q5W0Z9 1/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
ACACB O00763 2/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MME P08473 1/20 0.31
ACE P12821 1/20 0.31
CPA1 P15085 1/20 0.31
ACE2 Q9BYF1 1/20 0.31
ENPEP Q07075 4/20 0.31
CYP2C19 P33261 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
SCHEMBL9606649 0.85 TSHR (0.46) TSHRZDHHC20ZDHHC2ACACBALDH1A1
SCHEMBL3077692 0.83 TSHR (0.44) TSHRZDHHC20ZDHHC2ALDH1A1MAPK1
SCHEMBL11402548 0.83 TSHR (0.42) TSHRZDHHC20ZDHHC2ACACBALDH1A1
SCHEMBL27506531 0.83 TSHR (0.42) TSHRZDHHC20ZDHHC2ACACBALDH1A1
SCHEMBL1901919 0.82 TSHR (0.43) TSHRZDHHC20ZDHHC2
SCHEMBL162366 0.82 TSHR (0.54) TSHRZDHHC20ZDHHC2ACACBALDH1A1
SCHEMBL27871887 0.82 ZDHHC20 (0.47) TSHRZDHHC20ZDHHC2ALDH1A1MAPK1
SCHEMBL27872079 0.81 ZDHHC20 (0.46) TSHRZDHHC20ZDHHC2ALDH1A1MAPK1
SCHEMBL1775598 0.80 TSHR (0.52) TSHRZDHHC20ZDHHC2ACACBALDH1A1
SCHEMBL3952450 0.80 TSHR (0.52) TSHRZDHHC20ZDHHC2ACACBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2335683-B1 Cosmetic kit formulation L'ORÉAL (FR) 2018-02-28 EP disclosed
EP-2335683-A1 Cosmetic kit formulation L'Oréal (FR) 2011-06-22 EP disclosed
EP-2102259-A1 POLYMERS Unilever PLC (GB) 2009-09-23 EP disclosed
WO-2008071662-A1 POLYMERS UNILEVER PLC (GB) 2008-06-19 WO disclosed