SCHEMBL7803837

SCHEMBL7803837

CC(=O)Oc1ccc(Cl)cc1C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
NR1H4 Q96RI1 1/20 0.46
CFD P00746 2/20 0.44
MAPT P10636 5/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
ABCB11 O95342 1/20 0.40
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 2/20 0.39
ESR1 P03372 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
HMGB1 P09429 1/20 0.39
GGT1 P19440 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 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
SCHEMBL7803834 0.85 KMT2A (0.39) KMT2ANR1H4MAPTCNR1CNR2
SCHEMBL6514020 0.84 NR1H4 (0.45) KMT2ANR1H4MAPTESR1LMNA
SCHEMBL7414042 0.83 ABL1 (0.54) KMT2ANR1H4CFDMAPTABCB11
SCHEMBL1300248 0.82 CYP3A4 (0.45) KMT2AMAPTCNR1CNR2ALDH1A1
SCHEMBL23812315 0.81 CFD (0.43) CFDMAPTKDM4EALDH1A1HPGD
SCHEMBL3979506 0.81 KDM4E (0.59) CFDMAPTKDM4EALDH1A1HPGD
SCHEMBL3691064 0.80 KMT2A (0.61) KMT2ANR1H4CFDMAPTABCB11
SCHEMBL7803918 0.80 LMNA (0.39) KMT2AMAPTCNR1CNR2KDM4E
SCHEMBL7803914 0.80 LMNA (0.39) KMT2AMAPTCNR1CNR2KDM4E
SCHEMBL23812298 0.79 CFD (0.42) KMT2ACFDMAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1097117-A2 ARYL VINYL ETHER DERIVATIVES AND THEIR USE AS HERBICIDES AVENTIS AGRICULTURE LTD. (GB) 2001-05-09 EP disclosed
WO-2000003975-A2 ARYL VINYL ETHER DERIVATIVES AND THEIR USE AS HERBICIDES AVENTIS AGRICULTURE LTD. (GB) 2000-01-27 WO disclosed