SCHEMBL7703846

SCHEMBL7703846

C=C(C)C(=O)NC(CCC)N(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.42
HDAC7 Q8WUI4 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CHRM1 P11229 1/20 0.30
AKR1A1 P14550 1/20 0.30
CHRM3 P20309 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
ADRA1A P35348 1/20 0.30
HRH1 P35367 1/20 0.30
DRD3 P35462 1/20 0.30
SLC6A3 Q01959 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL34096 0.85 TGFBR1 (0.44) TGFBR1
Hydrochloric Acid SCHEMBL7945240 0.83 TGFBR1 (0.43) TGFBR1
SCHEMBL21597052 0.81 TGFBR1 (0.44) TGFBR1
SCHEMBL14678189 0.80 TGFBR1 (0.44) TGFBR1
Propionic Acid SCHEMBL14676809 0.79 TGFBR1 (0.43) TGFBR1
SCHEMBL8145684 0.77 TGFBR1 (0.39) TGFBR1
SCHEMBL1826412 0.76 TGFBR1 (0.47) TGFBR1HDAC7HDAC8HDAC6HDAC9
SCHEMBL10909470 0.76 TGFBR1 (0.47) TGFBR1HDAC7HDAC8HDAC6HDAC9
Lactic Acid SCHEMBL8862042 0.76 TGFBR1 (0.45) TGFBR1ALDH1A1
SCHEMBL26105139 0.76 TGFBR1 (0.38) TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1334830-A Hydrophilic ampholytic polymer GOODRICH CO B F (US) 2002-02-06 CN claimed
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
CN-1334830-A Hydrophilic ampholytic polymer GOODRICH CO B F (US) 2002-02-06 CN 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