SCHEMBL11760465

SCHEMBL11760465

CC(C)(c1ccc2cc(C(C)(C)P(=O)(O)O)ccc2c1)P(=O)(O)O

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 10/20 0.57
PGK1 P00558 3/20 0.41
PGK2 P07205 3/20 0.41
PTPRC P08575 3/20 0.39
PTPN6 P29350 3/20 0.39
PTPN22 Q9Y2R2 2/20 0.39
PTPN11 Q06124 2/20 0.39
EPM2A O95278 1/20 0.39
CDC14A Q9UNH5 1/20 0.39
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PTPN2 P17706 1/20 0.36

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
SCHEMBL9398056 0.92 PTPN1 (0.66) PTPN1PGK1PGK2PTPRC
SCHEMBL11760714 0.91 PTPN1 (0.49) PTPN1PGK1PGK2PTPRCPTPN6
SCHEMBL11032045 0.79 ENPP2 (0.52) PTPN1PTPN6PTPN11KDM4EPTPN2
SCHEMBL11028547 0.79 ENPP2 (0.52) PTPN1PTPN6PTPN11KDM4EPTPN2
SCHEMBL9502470 0.77 PTPN5 (0.50) PTPN1PGK1PGK2PTPN6PTPN11
SCHEMBL11756580 0.77 LMNA (0.38) PTPN1KDM4E
SCHEMBL11759829 0.76 TSHR (0.48) PTPN1PGK1PGK2PTPN6PTPN11
SCHEMBL8999640 0.76 ESR1 (0.52) PGK1PGK2KDM4EMEN1KMT2A
SCHEMBL2637396 0.74 FDPS (0.47) PTPN1PGK1PGK2PTPN6PTPN11
SCHEMBL17923871 0.74 PGK1 (0.46) PTPN1PGK1PGK2PTPN6PTPN11

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
US-4061681-A Method for the preparation of mono- or poly [dialkyl or dicycloalkylphosphonylmethyl] aromatic carbocyclic compounds AMERICAN CYANAMID COMPANY (US) 1977-12-06 US disclosed