SCHEMBL2552708

SCHEMBL2552708

C=CC(=O)NC(C)(C)CCCP(=O)(O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 3/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
GRM4 Q14833 1/20 0.36
TYMS P04818 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LPAR3 Q9UBY5 3/20 0.33
LPAR2 Q9HBW0 1/20 0.33
BBOX1 O75936 1/20 0.32
S1PR2 O95136 2/20 0.32
S1PR4 O95977 2/20 0.32
S1PR1 P21453 2/20 0.32
S1PR3 Q99500 2/20 0.32

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
SCHEMBL5057255 0.90 MEN1 (0.48) MEN1KMT2AALDH1A1CYP3A4CYP2C9
Phosphoric Acid SCHEMBL22773434 0.79 MEN1 (0.48) MEN1KMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL8765940 0.79 MEN1 (0.50) MEN1KMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL41598 0.79 ALDH1A1 (0.47) MEN1KMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL36168 0.77 ZDHHC20 (0.50) MEN1KMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL813616 0.77 GRM4 (0.36) ALDH1A1GRM4TYMSLPAR3LPAR2
SCHEMBL11760141 0.76 ZDHHC20 (0.53) MEN1KMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL9397033 0.76 ZDHHC20 (0.53) MEN1KMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL5713069 0.76 ZDHHC20 (0.53) MEN1KMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL7115211 0.76 MEN1 (0.48) MEN1KMT2AALDH1A1CYP3A4CYP2C9

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
US-9493598-B2 Polymers having acid and amide moieties, and uses thereof ISP INVESTMENTS LLC (US) 2016-11-15 US claimed
US-20130123147-A1 POLYMERS HAVING ACID AND AMIDE MOIETIES, AND USES THEREOF ISP INVESTMENTS INC. (US) 2013-05-16 US claimed
WO-2011130370-A1 POLYMERS HAVING ACID AND AMIDE MOIETIES, AND USES THEREOF ISP INVESTMENTS INC. (US) 2011-10-20 WO claimed
US-9493598-B2 Polymers having acid and amide moieties, and uses thereof ISP INVESTMENTS LLC (US) 2016-11-15 US disclosed
US-20130123147-A1 POLYMERS HAVING ACID AND AMIDE MOIETIES, AND USES THEREOF ISP INVESTMENTS INC. (US) 2013-05-16 US disclosed
WO-2011130370-A1 POLYMERS HAVING ACID AND AMIDE MOIETIES, AND USES THEREOF ISP INVESTMENTS INC. (US) 2011-10-20 WO disclosed