SCHEMBL9702457

SCHEMBL9702457

COc1ccc(OP(=O)(O)Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.48
CA2 P00918 6/20 0.48
CA12 O43570 2/20 0.48
CA9 Q16790 2/20 0.48
CA14 Q9ULX7 2/20 0.48
CA7 P43166 1/20 0.48
ACP3 P15309 1/20 0.47
HPGD P15428 2/20 0.46
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
PKM P14618 1/20 0.44
HTT P42858 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PLK1 P53350 1/20 0.44
MMP2 P08253 1/20 0.42
LMNA P02545 1/20 0.42
PARP1 P09874 1/20 0.42
PARP10 Q53GL7 1/20 0.42
PARP2 Q9UGN5 1/20 0.42

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
SCHEMBL9485955 0.89 SRC (0.48) CA1CA2CA12CA9CA7
SCHEMBL29070722 0.83 TSHR (0.61) CYP2C19SMN1; SMN2LMNA
SCHEMBL9621857 0.82 CA1 (0.52) CA1CA2CA12CA9CA14
SCHEMBL643849 0.82 CA1 (0.52) CA1CA2CA12CA9CA14
SCHEMBL3219196 0.82 SRC (0.60) CA1CA2CA12CA9CA14
SCHEMBL3246349 0.82 CES2 (0.53) CA1CA2CA12CA9CA14
SCHEMBL10622033 0.80 MEN1 (0.59) CA2CA9CA14HPGDHTT
Hydrochloric Acid SCHEMBL28893937 0.80 SRC (0.58) CA1CA2CA12CA9CA14
Fluoride SCHEMBL31047198 0.80 CES2 (0.52) CA1CA2CA12CA9CA14
SCHEMBL28074568 0.80 CYP2C19 (0.60) CA1CA2CA12CA9CA14

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-1992005219-A1 FORMULATIONS OF CELLULOSE ESTERS WITH ARYLENE-BIS(DIARYL PHOSPHATE)S EASTMAN KODAK COMPANY (US) 1992-04-02 WO disclosed