SCHEMBL7363683

SCHEMBL7363683

C[C@@](CO)(C(=O)O)N(c1ccccc1)P(=O)(O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 4/20 0.38
HTT P42858 2/20 0.36
ALDH1A1 P00352 7/20 0.36
GLA P06280 1/20 0.36
NPSR1 Q6W5P4 3/20 0.34
DGAT1 O75907 1/20 0.34
HPGD P15428 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
MAPT P10636 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
SCHEMBL28335086 0.71 MEN1 (0.40) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL10881374 0.70 PTPN1 (0.47) KMT2AMEN1HTTALDH1A1NPSR1
SCHEMBL6037246 0.69 CYP1A2 (0.42) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL6037245 0.69 CYP1A2 (0.42) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL1697396 0.68 LMNA (0.47) KMT2AMEN1TSHRHTTALDH1A1
SCHEMBL20475967 0.68 LMNA (0.47) KMT2AMEN1TSHRHTTALDH1A1
SCHEMBL7363687 0.68 MEN1 (0.40) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL7151140 0.66 KMT2A (0.44) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL17536667 0.66 KMT2A (0.44) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL2991061 0.65 MMP1 (0.30) KMT2AMEN1TSHRHPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6307090-B1 OXALYL ENDCAPPED; CONTAINING A BIVALENT RADICAL OF PHOSPHOTYROSINE OR A PHOSPHOTYROSINE MIMETIC THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2001-10-23 US disclosed
EP-0846127-A1 ACYLATED OLIGOPEPTIDE DERIVATIVES HAVING CELL SIGNAL INHIBITING ACTIVITY Novartis AG (CH) 1998-06-10 EP disclosed
WO-1997008193-A1 ACYLATED OLIGOPEPTIDE DERIVATIVES HAVING CELL SIGNAL INHIBITING ACTIVITY NOVARTIS AG (CH) 1997-03-06 WO disclosed