SCHEMBL9804332

SCHEMBL9804332

CCOP(=O)(COC(=O)C(C)Oc1ccc(-c2ncc(Cl)cc2F)cc1O)OCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
PPOX P50336 2/20 0.33
TDP1 Q9NUW8 2/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
P2RX3 P56373 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
FPR2 P25090 1/20 0.31
SCN9A Q15858 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
ATF1 P18846 1/20 0.31
NFKB1 P19838 1/20 0.31
GABRA5 P31644 1/20 0.31
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31

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
SCHEMBL9804321 0.91 SCN9A (0.34) S1PR1S1PR3L3MBTL1TDP1MAPT
SCHEMBL9804281 0.89 S1PR1 (0.36) S1PR1S1PR3L3MBTL1PPOXTDP1
SCHEMBL9804353 0.83 TDP1 (0.36) S1PR1S1PR3L3MBTL1PPOXTDP1
SCHEMBL10414342 0.83 L3MBTL1 (0.39) S1PR1S1PR3L3MBTL1PPOXTDP1
SCHEMBL9804293 0.83 TDP1 (0.36) S1PR1S1PR3L3MBTL1PPOXTDP1
SCHEMBL7612806 0.83 TSHR (0.36) S1PR1S1PR3L3MBTL1TDP1ALDH1A1
SCHEMBL7608524 0.82 P2RX3 (0.36) S1PR1S1PR3L3MBTL1PPOXTDP1
SCHEMBL732544 0.82 L3MBTL1 (0.46) L3MBTL1PPOXTDP1ALDH1A1LMNA
SCHEMBL10414341 0.81 S1PR1 (0.38) S1PR1S1PR3TDP1ALDH1A1LMNA
SCHEMBL10564119 0.81 L3MBTL1 (0.38) S1PR1S1PR3L3MBTL1PPOXTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0200677-B1 3-FLUOROPYRIDYL-2-OXY-PHENOXY DERIVATIVES WITH A HERBICIDAL ACTIVITY CIBA-GEIGY AG (CH) 1991-04-03 EP claimed
US-4948414-A PLSNT GROWTH REGULATORS; PREEMERGENCE AND POSTEMERGENCE CIBA-GEIGY CORPORATION (US) 1990-08-14 US claimed
US-4948414-A PLSNT GROWTH REGULATORS; PREEMERGENCE AND POSTEMERGENCE CIBA-GEIGY CORPORATION (US) 1990-08-14 US disclosed
US-4875926-A 3-Fluoropyridyl-2-oxy-phenoxy derivatives having herbicidal activity CIBA-GEIGY CORPORATION (US) 1989-10-24 US disclosed
US-4838930-A REDUCTION OF GRASS GROWTH; PREEMERGENCE CIBA-GEIGY CORPORATION (US) 1989-06-13 US disclosed
US-4740235-A SELECTIVE CONTROL OF GRASSES CIBA-GEIGY CORPORATION (US) 1988-04-26 US disclosed