SCHEMBL7608524

SCHEMBL7608524

C#CCOC(=O)C(C)Oc1ccc(-c2ncc(Cl)cc2F)cc1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.36
P2RX2 Q9UBL9 1/20 0.36
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
FPR2 P25090 1/20 0.33
SCN9A Q15858 1/20 0.33
TSHR P16473 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
CTSA P10619 3/20 0.33
MAPT P10636 2/20 0.33
PPOX P50336 1/20 0.32
GABRA5 P31644 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
JAK3 P52333 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
SCHEMBL731517 0.92 L3MBTL1 (0.39) L3MBTL1TDP1MEN1KMT2ATSHR
SCHEMBL9804353 0.87 TDP1 (0.36) P2RX3S1PR1S1PR3L3MBTL1TDP1
SCHEMBL10414342 0.87 L3MBTL1 (0.39) P2RX3S1PR1S1PR3L3MBTL1TDP1
SCHEMBL9804293 0.87 TDP1 (0.36) P2RX3S1PR1S1PR3L3MBTL1TDP1
SCHEMBL7612806 0.87 TSHR (0.36) S1PR1S1PR3L3MBTL1TDP1MEN1
SCHEMBL9804281 0.85 S1PR1 (0.36) S1PR1S1PR3L3MBTL1TDP1MEN1
SCHEMBL10569790 0.85 S1PR1 (0.38) P2RX3S1PR1S1PR3TDP1MEN1
SCHEMBL10564119 0.85 L3MBTL1 (0.38) S1PR1S1PR3L3MBTL1TDP1MEN1
SCHEMBL10414341 0.85 S1PR1 (0.38) P2RX3S1PR1S1PR3TDP1MEN1
SCHEMBL10414405 0.84 TSHR (0.37) S1PR1S1PR3FPR2SCN9ATSHR

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0333131-B1 Plant protective agent based on pyrazolecarboxylic acid derivatives HOECHST AG (DE) 1993-10-27 EP claimed
EP-0333131-A1 Plant protective agent based on pyrazolecarboxylic acid derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1989-09-20 EP claimed
EP-0850565-B1 Synergistic herbicidal agents BAYER CROPSCIENCE GMBH (DE) 2002-11-27 EP disclosed
US-6159900-A Synergistic herbicidal agents HOECHST AKTIENGESELLSCHAFT (DE) 2000-12-12 US disclosed
US-5945541-A Plant protection agents based on pyrazolecarboxylic acid derivatives HOECHST SCHERING AGREVO GMBH (DE) 1999-08-31 US disclosed
EP-0850565-A1 Synergistic herbicidal agents Hoechst Schering AgrEvo GmbH (DE) 1998-07-01 EP disclosed
EP-0635996-B1 PYRAZOLINES FOR THE PROTECTION OF CROP PLANTS AGAINST HERBICIDES HOECHST SCHERING AGREVO GMBH (DE) 1998-02-11 EP disclosed
US-5703008-A Pyrazolines for protecting crop plants against herbicides HOECHST AKTIENGESELLSCHAFT (DE) 1997-12-30 US disclosed
US-5700758-A APPLYING TO SAFEN PLANTS AGAINST PHOTOTOXICITY HOECHST AKTIENGESELLSCHAFT (DE) 1997-12-23 US disclosed
EP-0543878-B1 PLANT PROTECTING AGENTS CONTAINING ISOXAZOLINE OR ISOTHIAZOLINE AND NEW ISOXAZOLINES AND ISOTHIAZOLINES HOECHST SCHERING AGREVO GMBH (DE) 1997-01-08 EP disclosed
US-5521143-A USED WITH HERBICIDES, CEREAL CROPS HOECHST AKTIENGESELLSCHAFT (DE) 1996-05-28 US disclosed
WO-1992003053-A1 PLANT PROTECTING AGENTS CONTAINING ISOXAZOLINE OR ISOTHIAZOLINE AND NEW ISOXAZOLINES AND ISOTHIAZOLINES HOECHST AKTIENGESELLSCHAFT (DE) 1992-03-05 WO disclosed
WO-1991018907-A1 PLANT-PROTECTING SUBSTITUTED ISOXAZOLINES, ISOXAZOLES, ISOTHIAZOLINES AND ISOTHIAZOLES, PROCESS FOR PRODUCING THEM AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1991-12-12 WO disclosed
US-5037468-A Prevent phytotoxic damage by herbicides HOECHST AKTIENGESELLSCHAFT (DE) 1991-08-06 US disclosed
WO-1991008202-A1 ISOXAZOLINES, METHOD OF PREPARATION THEREOF, AND THEIR USE AS PLANT-PROTECTION AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1991-06-13 WO disclosed
WO-1991007874-A1 PYRAZOLINES FOR THE PROTECTION OF CROPS AGAINST HERBICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1991-06-13 WO disclosed
EP-0431545-A2 Selectif herbicidal agent and fungicidal agent Hoechst Schering AgrEvo GmbH (DE) 1991-06-12 EP disclosed
EP-0417626-A2 Plant protection agents containing N-arylhydrazones and N-arylhydrazones HOECHST AKTIENGESELLSCHAFT (DE) 1991-03-20 EP disclosed
EP-0409118-A1 Pyrazolines and their use as antidotes Hoechst Schering AgrEvo GmbH (DE) 1991-01-23 EP disclosed
EP-0333131-A1 Plant protective agent based on pyrazolecarboxylic acid derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1989-09-20 EP disclosed