SCHEMBL7801078

SCHEMBL7801078

CCOC(=O)c1c(F)cccc1O/C(=C/OC)C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
KMT2A Q03164 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 2/20 0.38
MAPT P10636 2/20 0.38
THRB P10828 1/20 0.38
CFTR P13569 2/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
RAB9A P51151 3/20 0.37
MEN1 O00255 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL7801079 1.00 CA12 (0.41) CA12CA1CA2CA7CA9
SCHEMBL7803818 0.90 TSHR (0.38) KMT2ASMN1; SMN2TP53MAPTTHRB
SCHEMBL7803821 0.90 TSHR (0.38) KMT2ASMN1; SMN2TP53MAPTTHRB
SCHEMBL7795985 0.89 KMT2A (0.38) KMT2ASMN1; SMN2MAPTTHRBKDM4E
SCHEMBL7795983 0.89 KMT2A (0.38) KMT2ASMN1; SMN2MAPTTHRBKDM4E
SCHEMBL7806070 0.88 TSHR (0.39) KMT2ASMN1; SMN2TP53MAPTTHRB
SCHEMBL7806066 0.88 TSHR (0.39) KMT2ASMN1; SMN2TP53MAPTTHRB
SCHEMBL7803846 0.87 LMNA (0.36) KMT2ASMN1; SMN2MAPTTHRBKDM4E
SCHEMBL7802498 0.87 NPC1 (0.38) KMT2ASMN1; SMN2MAPTTHRBRAB9A
SCHEMBL7803850 0.87 LMNA (0.36) KMT2ASMN1; SMN2MAPTTHRBKDM4E

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