SCHEMBL16962465

SCHEMBL16962465

[CH2]C(CO)c1ccc(C2CC2)c(OCC)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ HTR6 P50406 2/20 0.34
▸ CNR2 P34972 1/20 0.32
▸ PROKR1 Q8TCW9 2/20 0.32
▸ FFAR1 O14842 2/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ PTGS1 P23219 1/20 0.31
▸ PTGS2 P35354 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ NOD2 Q9HC29 1/20 0.31
▸ APOBEC3G Q9HC16 1/20 0.31
▸ CHRM4 P08173 1/20 0.31
▸ CHRM1 P11229 1/20 0.31

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
SCHEMBL16956893 0.89 LMNA (0.36) SMN1; SMN2LMNAHTTALDH1A1MAPT
SCHEMBL16951548 0.86 CYP3A4 (0.41) SMN1; SMN2HTR2A
SCHEMBL16957023 0.84 SMN1; SMN2 (0.38) SMN1; SMN2LMNAHTTHTR6CNR2
SCHEMBL16961314 0.82 SMN1; SMN2 (0.34) SMN1; SMN2LMNAHTTHTR6CNR2
SCHEMBL16954484 0.78 ACHE (0.46) SMN1; SMN2LMNAHTTALDH1A1GAA
SCHEMBL16959971 0.78 OPRL1 (0.35) HTR6
SCHEMBL16956733 0.77 HTR2A (0.35) PROKR1ALDH1A1MAPTHTR2AAPOBEC3G
SCHEMBL16950664 0.77 PPARG (0.41) SMN1; SMN2HTR2A
SCHEMBL16955262 0.77 ALDH1A1 (0.34) SMN1; SMN2LMNAHTTALDH1A1GAA
SCHEMBL16957241 0.77 PPARG (0.50) SMN1; SMN2LMNAALDH1A1GAAMAPT

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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