SCHEMBL7363687

SCHEMBL7363687

CC(C(=O)O)(N(CO)c1ccccc1)P(=O)(O)O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP3A4 P08684 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 4/20 0.38
HTT P42858 1/20 0.36
ALDH1A1 P00352 4/20 0.36
GLA P06280 1/20 0.36
FDPS P14324 4/20 0.35
PTPN1 P18031 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
RIPK1 Q13546 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL9715677 0.86 KMT2A (0.39) MEN1KMT2ACYP2C9CYP2C19CYP3A4
SCHEMBL2444857 0.68 KMT2A (0.47) MEN1KMT2ACYP2C9CYP2C19CYP3A4
SCHEMBL7363683 0.68 KMT2A (0.40) MEN1KMT2ACYP2C9CYP2C19CYP3A4
SCHEMBL16858007 0.67 KMT2A (0.46) MEN1KMT2ACYP2C9CYP2C19CYP3A4
SCHEMBL10482591 0.66 KMT2A (0.37) MEN1KMT2ACYP2C9CYP2C19CYP3A4
SCHEMBL3876432 0.65 KMT2A (0.47) MEN1KMT2ACYP2C9CYP2C19CYP3A4
SCHEMBL21874427 0.65 KMT2A (0.43) MEN1KMT2ACYP2C9CYP2C19CYP3A4
SCHEMBL27833672 0.64 LMNA (0.38) TSHRALDH1A1FDPS
SCHEMBL3081571 0.63 ALDH1A1 (0.50) MEN1KMT2ACYP2C9CYP2C19CYP3A4
SCHEMBL14220661 0.63 ALDH1A1 (0.37) MEN1KMT2ACYP2C9CYP2C19CYP3A4

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