SCHEMBL9702463

SCHEMBL9702463

COc1ccc(OP(=O)(O)OCl)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.44
CA1 P00915 6/20 0.44
CA2 P00918 6/20 0.44
CA12 O43570 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
CA7 P43166 1/20 0.44
HPGD P15428 2/20 0.43
CES2 O00748 2/20 0.43
CES1 P23141 2/20 0.43
PKM P14618 1/20 0.42
HTT P42858 1/20 0.42
PLK1 P53350 1/20 0.41
MMP2 P08253 1/20 0.40
LMNA P02545 1/20 0.40
PARP1 P09874 1/20 0.39
PARP10 Q53GL7 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
PARP4 Q9UKK3 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
SCHEMBL3246349 0.87 CES2 (0.53) ACP3CA1CA2CA12CA9
Fluoride SCHEMBL31047198 0.85 CES2 (0.52) ACP3CA1CA2CA12CA9
SCHEMBL10622036 0.82 MEN1 (0.55) CA2CA9CA14HPGDCES2
SCHEMBL22322005 0.80 PKM (0.59) ACP3HPGDCES2CES1PKM
SCHEMBL27738623 0.79 MAPT (0.52) HPGDCES2CES1LMNA
SCHEMBL2127226 0.79 SRC (0.61) CES2CES1
SCHEMBL9702457 0.79 CA1 (0.48) ACP3CA1CA2CA12CA9
SCHEMBL4277318 0.79 CYP3A4 (0.50) ACP3CA1CA2CA12CA9
SCHEMBL9621858 0.79 CYP3A4 (0.50) ACP3CA1CA2CA12CA9
SCHEMBL3219196 0.79 SRC (0.60) ACP3CA1CA2CA12CA9

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