SCHEMBL11032371

SCHEMBL11032371

O=P(O)(O)OC(c1ccccc1)(c1ccccc1)c1ccccc1.O=[Ti](O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.44
SRC P12931 1/20 0.41
PGK1 P00558 4/20 0.37
PGK2 P07205 4/20 0.37
PTPN5 P54829 2/20 0.36
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA5A P35218 1/20 0.35
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
PDE3A Q14432 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KCNN4 O15554 1/20 0.33
KIF11 P52732 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL1070250 0.92 PTPN1 (0.50) PTPN1SRCPGK1PGK2PTPN5
SCHEMBL5613563 0.79 PTPN1 (0.50) PTPN1SRCPGK1PGK2PTPN5
SCHEMBL22232957 0.79 ACP3 (0.50) CA4KDM4EALDH1A1KIF11SMN1; SMN2
SCHEMBL3517707 0.77 PTPN1 (0.44) PTPN1SRCPGK1PGK2PTPN5
SCHEMBL28499400 0.76 CRHBP (0.41) PTPN1SRCPGK1PGK2PTPN5
SCHEMBL29127601 0.76 PTPN1 (0.47) PTPN1SRCPGK1PGK2PTPN5
SCHEMBL1014613 0.76 ALDH1A1 (0.54) PTPN1SRCPGK1PGK2PTPN5
SCHEMBL1070249 0.74 PTPN1 (0.43) PTPN1SRCPGK1PGK2PTPN5
SCHEMBL1150576 0.74 PTPN1 (0.50) PTPN1SRCPGK1PGK2PTPN5
SCHEMBL5514428 0.74 PTPN1 (0.48) PTPN1SRCPGK1PGK2PTPN5

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-4525494-A EXTRUSION ANDY ROBERT 1985-06-25 US claimed