SCHEMBL7703896

SCHEMBL7703896

C=CC(=O)NC(C)(N)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PIK3CD O00329 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
SCHEMBL3315750 0.82 ALDH1A1 (0.43) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL174734 0.78 TSHR (0.48) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL421304 0.78
SCHEMBL27685216 0.77 ALDH1A1 (0.40) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL19168937 0.75 TSHR (0.45) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL902120 0.75 PIK3CD (0.35) PIK3CD
Hydrochloric Acid SCHEMBL5161593 0.75 TSHR (0.41) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL29192600 0.75 TSHR (0.41) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL28364763 0.74 TSHR (0.48) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL6572407 0.74 ALDH1A1 (0.41) TSHRALDH1A1CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1147138-A1 HYDROPHILIC AMPHOLYTIC POLYMER The B.F. Goodrich Company (US) 2001-10-24 EP claimed
WO-2000039176-A1 HYDROPHILIC AMPHOLYTIC POLYMER THE B.F. GOODRICH COMPANY (US) 2000-07-06 WO claimed
US-6361768-B1 POLYMER FORMED BY COPOLYMERIZATION OF ANIONIC MONOMER HAVING CARBOXY-FUNCTIONAL GROUP, NON-QUATERNIZED CATIONIC MONOMER HAVING AMINO-FUNCTIONAL GROUP, NON-IONIC HYDROPHILIC MONOMER, HYDROPHOBIC MONOMER, OPTIONAL CROSSLINKING MONOMER PMD HOLDINGS CORP. 2002-03-26 US disclosed
EP-1147138-A1 HYDROPHILIC AMPHOLYTIC POLYMER The B.F. Goodrich Company (US) 2001-10-24 EP disclosed
WO-2000039176-A1 HYDROPHILIC AMPHOLYTIC POLYMER THE B.F. GOODRICH COMPANY (US) 2000-07-06 WO disclosed
US-5141717-A Carbon monitor containing anion exchange resin IONICS, INCORPORATED (US) 1992-08-25 US disclosed