SCHEMBL4948951

SCHEMBL4948951

C[C@H](O)C(=O)NCCP(=O)(O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
PGK1 P00558 1/20 0.44
PGK2 P07205 1/20 0.44
USP2 O75604 2/20 0.40
TSHR P16473 1/20 0.40
ANPEP P15144 2/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
ALDH1A1 P00352 3/20 0.36
MMP1 P03956 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
MMP8 P22894 1/20 0.36
MAPT P10636 1/20 0.35
S1PR2 O95136 4/20 0.33
S1PR4 O95977 4/20 0.33
S1PR1 P21453 4/20 0.33
S1PR3 Q99500 4/20 0.33
DNPEP Q9ULA0 1/20 0.33
TYMS P04818 1/20 0.33

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
SCHEMBL12112086 0.85 PGK1 (0.46) MEN1KMT2APGK1PGK2USP2
Alafosalin SCHEMBL1582384 0.82 ANPEP (0.45) PGK1PGK2USP2TSHRANPEP
SCHEMBL24670624 0.82 ALDH1A1 (0.48) MEN1KMT2APGK1PGK2USP2
Alafosalin SCHEMBL6908702 0.82 ANPEP (0.45) PGK1PGK2USP2TSHRANPEP
SCHEMBL8533026 0.79 KMT2A (0.67) MEN1KMT2AUSP2TSHRANPEP
Phosphoric Acid SCHEMBL1399081 0.79 MEN1 (0.56) MEN1KMT2AUSP2TSHRANPEP
SCHEMBL4949000 0.75 MEN1 (0.61) MEN1KMT2APGK1PGK2USP2
SCHEMBL1399083 0.75 MEN1 (0.61) MEN1KMT2APGK1PGK2USP2
SCHEMBL15705553 0.74 PTGS1 (0.63) MEN1KMT2APGK1PGK2USP2
SCHEMBL24138000 0.73 CYP2D6 (0.46) KMT2AUSP2TSHRFNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012054528-A2 CHEMOSENSORY RECEPTOR LIGAND-BASED THERAPIES ELCELYX THERAPEUTICS, INC. (US) 2012-04-26 WO disclosed