SCHEMBL22499728

SCHEMBL22499728

O=P(O)(O)c1ccccc1-c1ccc(O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.48
ABCB1 P08183 2/20 0.48
BCR P11274 2/20 0.48
ESR2 Q92731 4/20 0.44
MMP3 P08254 1/20 0.43
BCL2L1 Q07817 1/20 0.43
PTPN1 P18031 1/20 0.41
BACE1 P56817 1/20 0.41
PTK2B Q14289 2/20 0.40
ALPG P10696 1/20 0.40
ESR1 P03372 5/20 0.39
RAB9A P51151 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
NPC1 O15118 2/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAPDH P04406 1/20 0.38

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
SCHEMBL30729584 0.86 ACP3 (0.47) BCL2L1PTK2BALPGRAB9ANPC1
SCHEMBL563975 0.85 POLB (0.47) BCL2L1BACE1PTK2BALPGRAB9A
SCHEMBL28443040 0.82 ESR1 (0.48) ABL1ABCB1BCRESR2MMP3
SCHEMBL4956835 0.80 CA2 (0.48) PTK2BALPGRAB9AMEN1KMT2A
SCHEMBL11605294 0.79 PTGS2 (0.42) MMP3MMP9
Phosphoric Acid SCHEMBL28234425 0.79 BCL2L1 (0.58) ABL1ABCB1BCRESR2MMP3
Propane SCHEMBL28351173 0.78 POLB (0.42) BCL2L1PTK2BALPGRAB9AMEN1
SCHEMBL7441974 0.78 PTK2B (0.37) BCL2L1PTK2BALPGRAB9AMAPT
SCHEMBL6889688 0.78 POLB (0.44) BCL2L1BACE1PTK2BALPGRAB9A
SCHEMBL28593785 0.77 POLB (0.46) RAB9AMEN1KMT2ALMNAMAPT

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
WO-2020203105-A1 POLYESTER FILM AND PRODUCTION METHOD THEREFOR 東洋紡株式会社 2020-10-08 WO disclosed