SCHEMBL11545939

SCHEMBL11545939

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.35
ALDH1A1 P00352 2/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
ACACB O00763 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
SCHEMBL8752154 0.79 TSHR (0.47) TSHRZDHHC20ZDHHC2ALDH1A1MAPK1
SCHEMBL18912736 0.77 TSHR (0.45) TSHRZDHHC20ZDHHC2ALDH1A1MAPK1
Ammonia Solution, Strong SCHEMBL11742981 0.77 TSHR (0.45) TSHRZDHHC20ZDHHC2ALDH1A1MAPK1
SCHEMBL27766988 0.75 TSHR (0.42) TSHRZDHHC20ZDHHC2ALDH1A1MAPK1
SCHEMBL19499070 0.73 TSHR (0.41) TSHR
SCHEMBL234712 0.70 ALDH1A1 (0.39) TSHRZDHHC20ZDHHC2ALDH1A1MAPK1
SCHEMBL1994296 0.70 TSHR (0.50) TSHRZDHHC20ZDHHC2ALDH1A1MAPK1
SCHEMBL28887767 0.70 TSHR (0.38) TSHRZDHHC20ZDHHC2
SCHEMBL1282258 0.69 TSHR (0.48) TSHRZDHHC20ZDHHC2ALDH1A1MAPK1
SCHEMBL28077512 0.69 TSHR (0.48) TSHRZDHHC20ZDHHC2ALDH1A1MAPK1

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-RE30142-E FOR LUBRICANTS THE LUBRIZOL CORPORATION (US) 1979-11-06 US disclosed
US-4070385-A HYDRAULIC FLUID ADDITIVES THE LUBRIZOL CORPORATION (US) 1978-01-24 US disclosed
US-4026812-A HYDRAULIC FLUIDS, OIL IN WATER EMULSIONS THE LUBRIZOL CORPORATION (US) 1977-05-31 US disclosed