SCHEMBL8976929

SCHEMBL8976929

C=CC(=O)NC(CCNC)NC(=O)C=C

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
CYP2C19 P33261 1/20 0.33
TGM2 P21980 1/20 0.31
KISS1R Q969F8 1/20 0.31
ACACB O00763 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
SCHEMBL1869231 0.79 TSHR (0.52) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL10686469 0.79 TSHR (0.50) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL4026662 0.76 ZDHHC20 (0.48) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL3319891 0.75 TSHR (0.46) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL27612238 0.74 ZDHHC20 (0.52) TSHRALDH1A1MAPK1ZDHHC20ZDHHC2
SCHEMBL4838458 0.74 TSHR (0.47) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL108348 0.74 TSHR (0.56) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL4112710 0.73 TSHR (0.50) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL4583511 0.73 TSHR (0.45) TSHRALDH1A1MAPK1TDP1CYP2C19
SCHEMBL20788036 0.73 ZDHHC20 (0.55) TSHRMAPK1ZDHHC20ZDHHC2

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
EP-3569683-B1 LIQUID ACIDIC HARD SURFACE CLEANING COMPOSITIONS PROVIDING IMPROVED MAINTENANCE OF SURFACE SHINE, AND PREVENTION OF WATER MARKS AND SPLASH MARKS PROCTER & GAMBLE (US) 2020-10-14 EP claimed
EP-0580529-B1 Process for making paper or cardboard having improved retention S N F (FR) 1996-04-17 EP claimed
EP-0580529-A1 Process for making paper or cardboard having improved retention S. N. F. (FR) 1994-01-26 EP claimed