SCHEMBL8050752

SCHEMBL8050752

CCC(C)(C)c1cc(C(=O)O)ccc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CYP2C9 P11712 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
MYC P01106 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ACE2 Q9BYF1 3/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
CYP1A2 P05177 1/20 0.41
APEX1 P27695 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
GFER P55789 1/20 0.39

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
SCHEMBL25497550 0.84 ACE2 (0.47) POLBNPC1RAB9ACYP2C9KDM4E
SCHEMBL3805383 0.84 RARB (0.51) POLBNPC1RAB9ACYP2C9MYC
SCHEMBL25497533 0.84 POLB (0.44) POLBNPC1RAB9ACYP2C9TDP1
SCHEMBL8778664 0.83 TDP1 (0.43) POLBTDP1MYCKDM4EACE2
SCHEMBL13926357 0.83 CDC25B (0.49) POLBNPC1RAB9ACYP2C9KDM4E
SCHEMBL28779825 0.82 PTPN11 (0.46) POLBKMT2AMEN1APEX1CTDSP1
SCHEMBL3897415 0.82 MEN1 (0.44) POLBNPC1RAB9ATDP1MYC
SCHEMBL28779811 0.81 PTPN11 (0.48) TSHRRARB
SCHEMBL6309093 0.81 TDP1 (0.50) POLBTDP1MYCKDM4EACE2
SCHEMBL1355541 0.81 TDP1 (0.54) POLBTDP1MYCKDM4EACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0991699-A1 TWO-STAGE SOLUTION POLYMERIZATION OF HIGH MOLECULAR WEIGHT POLY(PHOSPHOESTERS) GUILFORD PHARMACEUTICALS INC. (US) 2000-04-12 EP disclosed
WO-1998058012-A1 TWO-STAGE SOLUTION POLYMERIZATION OF HIGH MOLECULAR WEIGHT POLY(PHOSPHOESTERS) GUILFORD PHARMACEUTICALS INC. (US) 1998-12-23 WO disclosed