SCHEMBL9436752

SCHEMBL9436752

C=C(C(=O)O)C(C)N(C)C.CCCCCCCCCCCCCCCCBr

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 8/20 0.37
LCK P06239 1/20 0.37
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
LMNA P02545 2/20 0.36
ACE2 Q9BYF1 1/20 0.35
GPR84 Q9NQS5 8/20 0.34
PPARG P37231 7/20 0.34
PPARA Q07869 7/20 0.34
HDAC11 Q96DB2 5/20 0.34
TSHR P16473 4/20 0.34
PTPN1 P18031 3/20 0.34
ALDH1A1 P00352 2/20 0.34
TLR2 O60603 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
FABP4 P15090 2/20 0.34
SLC22A6 Q4U2R8 1/20 0.34
SLC22A8 Q8TCC7 1/20 0.34
MEN1 O00255 1/20 0.34
ESR1 P03372 1/20 0.34

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
SCHEMBL4948140 0.83 TSHR (0.43) PPARDACE2GPR84PPARGPPARA
Bromomethane SCHEMBL7095820 0.78 LMNA (0.30) LMNA
SCHEMBL186411 0.78 LMNA (0.32) LMNATDP1
Methacrylic Acid SCHEMBL28739443 0.76 TSHR (0.47) PPARDGPR84PPARGPPARAHDAC11
Methacrylic Acid SCHEMBL28041673 0.76 TSHR (0.47) PPARDGPR84PPARGPPARAHDAC11
Hydrochloric Acid SCHEMBL28878591 0.75 LMNA (0.31) LMNA
SCHEMBL9436706 0.74 PPARD (0.35) PPARDLCKZDHHC20ZDHHC2LMNA
SCHEMBL8762013 0.74 PPARD (0.35) PPARDLCKZDHHC20ZDHHC2LMNA
SCHEMBL28025488 0.74 ACE2 (0.48) PPARDLCKZDHHC20ZDHHC2ACE2
Dodecane SCHEMBL27603441 0.74 ACE2 (0.48) PPARDLCKZDHHC20ZDHHC2ACE2

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
US-5314627-A Papermaking NALCO CHEMICAL COMPANY (US) 1994-05-24 US claimed
US-5292793-A Copolymer of acrylamide and a quaternized dimethylaminoethyl acrylate NALCO CHEMICAL COMPANY (US) 1994-03-08 US claimed
US-5314627-A Papermaking NALCO CHEMICAL COMPANY (US) 1994-05-24 US disclosed
US-5292793-A Copolymer of acrylamide and a quaternized dimethylaminoethyl acrylate NALCO CHEMICAL COMPANY (US) 1994-03-08 US disclosed