SCHEMBL16953072

SCHEMBL16953072

CCOc1c([CH]O)cccc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ NFE2L2 Q16236 5/20 0.46
▸ SRC P12931 1/20 0.43
▸ TLR2 O60603 1/20 0.42
▸ ERN1 O75460 1/20 0.42
▸ TLR1 Q15399 1/20 0.42
▸ TLR6 Q9Y2C9 1/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ POLB P06746 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ PLIN1 O60240 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ PLIN5 Q00G26 1/20 0.42
▸ ABHD5 Q8WTS1 1/20 0.42
▸ CA12 O43570 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TSHR P16473 1/20 0.41

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
SCHEMBL16960196 0.89 MEN1 (0.42) GSK3ASMN1; SMN2KMT2ALMNAMEN1
SCHEMBL16959860 0.86 NPC1 (0.52) GSK3ASMN1; SMN2NFE2L2KMT2APOLB
SCHEMBL16956484 0.84 GSK3A (0.40) GSK3ASMN1; SMN2KMT2ALMNAMEN1
SCHEMBL6632658 0.83 NFE2L2 (0.61) NFE2L2LMNAMAPTKDM4EHPGD
SCHEMBL16950721 0.83 PTGES (0.41) GSK3ASMN1; SMN2KMT2ALMNAMEN1
SCHEMBL1125257 0.83 SRC (0.58) GSK3ASMN1; SMN2NFE2L2SRCTLR2
SCHEMBL16954031 0.83 GSK3A (0.52) GSK3ASMN1; SMN2NFE2L2SRCPOLB
SCHEMBL16955698 0.82 GSK3A (0.38) GSK3ASMN1; SMN2KMT2ALMNAMEN1
SCHEMBL16955265 0.82 GSK3A (0.38) GSK3AKMT2APOLBLMNAMEN1
SCHEMBL16953545 0.82 GSK3A (0.38) GSK3ANFE2L2KMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 — — EP disclosed
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