SCHEMBL7939864

SCHEMBL7939864

CCOC(=O)C(C=O)c1ccc(Cl)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.41
MDM2 Q00987 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
PPARG P37231 4/20 0.39
PPARA Q07869 4/20 0.39
TLR4 O00206 1/20 0.38
LMNA P02545 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
S1PR1 P21453 2/20 0.36
S1PR3 Q99500 2/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL7942217 0.86 MAPT (0.45) CYP2C9PPARGLMNAMEN1KMT2A
SCHEMBL7933386 0.86 CYP3A4 (0.43) ALOX15CYP3A4CYP2C9LMNAMEN1
SCHEMBL25117945 0.85 CYP3A4 (0.42) ALOX15MDM2CYP3A4CYP2C9PPARG
SCHEMBL16068909 0.82 CYP3A4 (0.43) ALOX15MDM2CYP3A4CYP2C9PPARG
SCHEMBL29149956 0.80 CYP3A4 (0.41) ALOX15MDM2CYP3A4CYP2C9PPARG
SCHEMBL16068777 0.78 BDKRB1 (0.38) ALOX15MDM2CYP3A4CYP2C9PPARA
SCHEMBL5330350 0.78 KEAP1 (0.40) CYP3A4CYP2C9LMNAMEN1KMT2A
SCHEMBL27283323 0.78 GPR35 (0.36) ALOX15MDM2CYP3A4CYP2C9LMNA
SCHEMBL3232287 0.76 CA12 (0.45) CYP3A4PPARGPPARALMNAHPGD
SCHEMBL27964285 0.76 KDM4E (0.34) CYP3A4CYP2C9LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6242634-B1 OF HERBICIDES, HALOPHENYL COMPOUNDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-06-05 US disclosed
US-6100257-A 2-HALOALKYL,3-(HALOALKYL, ALKENYL, OR ALKYNYL),5-(SUBSTITUTED PHENYL OR HETEROCYCLE),6-ALKYL-PYRIMIDIN-4-ONE COMPOUNDS OF GIVEN STRUCTURE; USE AS HERBICIDES SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2000-08-08 US disclosed
EP-0850229-A1 PYRIMIDIN-4-ONE DERIVATIVES, THEIR USE AS HERBICIDES, INTERMEDIATES FOR THEIR PRODUCTION AND PROCESSES FOR PRODUCING THESE COMPOUNDS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1998-07-01 EP disclosed
WO-1997006150-A1 PYRIMIDIN-4-ONE DERIVATIVES, THEIR USE AS HERBICIDES, INTERMEDIATES FOR THEIR PRODUCTION AND PROCESSES FOR PRODUCING THESE COMPOUNDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-02-20 WO disclosed