SCHEMBL10878283

SCHEMBL10878283

COC(=O)CC(=O)C(C)Oc1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 3/20 0.42
▸ POLB P06746 1/20 0.42
▸ FAAH O00519 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ FPR2 P25090 1/20 0.42
▸ SCN9A Q15858 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ACACB O00763 1/20 0.40
▸ LTA4H P09960 1/20 0.40
▸ EPHX1 P07099 1/20 0.40
▸ MRGPRX4 Q96LA9 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
SCHEMBL10880100 0.86 MAPK14 (0.42) EPHX2MEN1KMT2AFPR2SCN9A
SCHEMBL11005272 0.86 MAPK14 (0.42) EPHX2MEN1KMT2AFPR2SCN9A
SCHEMBL11304140 0.80 CYP2C9 (0.54) EPHX2FAAHSMN1; SMN2FPR2SCN9A
SCHEMBL11307361 0.79 FPR2 (0.46) EPHX2FAAHMEN1KMT2AFPR2
SCHEMBL7509576 0.77 CYP1A2 (0.49) EPHX2POLBMEN1KMT2ASMN1; SMN2
SCHEMBL10879095 0.76 LMNA (0.61) FPR2SCN9A
SCHEMBL27237496 0.76 MEN1 (0.66) EPHX2POLBFAAHMEN1KMT2A
SCHEMBL11001857 0.75 IDH1 (0.46) POLBKMT2ASMN1; SMN2FPR2SCN9A
SCHEMBL10880352 0.75 IDH1 (0.46) POLBKMT2ASMN1; SMN2FPR2SCN9A
SCHEMBL10999451 0.75 MMP2 (0.42) EPHX2MEN1KMT2AFPR2SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0050019-B1 3-KETO-4-(4'-AROMATICALLY SUBSTITUTED-PHENOXY) COMPOUNDS, THEIR 3- ALKYLATED ENOL AND 2,3-HYDROGENATED DERIVATIVES AND THE USE THEREOF FOR THE CONTROL OF WEEDS SANDOZ AG (CH) 1986-04-09 — — EP disclosed
US-4561882-A HERBICIDES ZOECON CORPORATION (US) 1985-12-31 — — US disclosed
US-4529438-A A 1-(pyrid-2-yl-oxy-),4-(ester-keto-oxy)benzene compound ZOECON CORP. (US) 1985-07-16 — — US disclosed
US-4525205-A PRE- AND POSTEMERGENCE; WEED CONTROL ZOECON CORPORATION (US) 1985-06-25 — — US disclosed
US-4429167-A HERBICIDES ZOECON CORPORATION (US) 1984-01-31 — — US disclosed
US-4408076-A PRE- AND POSTEMERGENCE HERBICIDES ZOECON CORPORATION (US) 1983-10-04 — — US disclosed
EP-0050019-A1 3-Keto-4-(4'-aromatically substituted-phenoxy) compounds, their 3- alkylated enol and 2,3-hydrogenated derivatives and the use thereof for the control of weeds SANDOZ AG (CH) 1982-04-21 — — EP disclosed
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