SCHEMBL12468591

SCHEMBL12468591

CC(NC(N)=O)(C(=O)O)C(NC(N)=O)Oc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.37
LMNA P02545 2/20 0.37
HPGD P15428 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
GLA P06280 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL1305053 0.80 POLB (0.37) ALDH1A1MEN1KMT2ACRHBPCRHR2
SCHEMBL12099897 0.75 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ACRHBPCRHR2
SCHEMBL1304402 0.71 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ACRHBPCRHR2
SCHEMBL3745853 0.67 CYP2D6 (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL5309684 0.66 ALPL (0.44) ALDH1A1POLBLMNAHPGDMTNR1A
SCHEMBL8695089 0.65 ATM (0.45) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL7037791 0.64 ATM (0.47) ALDH1A1MEN1KMT2ALMNAHPGD
SCHEMBL82057 0.63 MTNR1A (0.45) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL22100068 0.63 HPGD (0.56) MEN1KMT2ASMN1; SMN2POLBHPGD
SCHEMBL7750587 0.63 POLB (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616430-A2 NOVEL PHENOXYISOBUTYRIC ACID COMPOUNDS AND METHODS FOR SYNTHESIS Cell Viable Corporation (US) 2013-07-24 EP disclosed
WO-2012050623-A2 NOVEL PHENOXYISOBUTYRIC ACID COMPOUNDS AND METHODS FOR SYNTHESIS Cell Viable Corporation (US) 2012-04-19 WO disclosed