SCHEMBL16955606

SCHEMBL16955606

[CH2]C(C)c1cc(OCC)ccc1OCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO1 P15559 1/20 0.41
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ TP53 P04637 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ AKR1C3 P42330 1/20 0.37
▸ AKR1C2 P52895 1/20 0.37
▸ HIF1A Q16665 1/20 0.36
▸ CSNK2A1 P68400 2/20 0.36
▸ CYSLTR2 Q9NS75 1/20 0.36
▸ CYSLTR1 Q9Y271 1/20 0.36

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
SCHEMBL16952981 0.89 CYSLTR2 (0.45) MEN1KMT2AHTTCYSLTR2CYSLTR1
SCHEMBL16954497 0.83 CYP2D6 (0.47) NQO1MEN1KMT2AKDM4EGAA
SCHEMBL16953880 0.82 NQO1 (0.42) NQO1MEN1KMT2AKDM4ETP53
SCHEMBL16952284 0.82 ALDH1A1 (0.46) MEN1KMT2AKDM4ETP53USP2
SCHEMBL16950789 0.81 HPGD (0.50) MEN1KMT2AKDM4ETP53USP2
SCHEMBL16959816 0.81 MAPT (0.46) MEN1KMT2AKDM4ETP53USP2
SCHEMBL16952407 0.81 HTR2A (0.44) MEN1KMT2AKDM4ETP53USP2
SCHEMBL16954392 0.80 CYP2D6 (0.47) MEN1KMT2AKDM4EGAAMAPT
SCHEMBL16954851 0.79 MEN1 (0.41) NQO1MEN1KMT2AKDM4ETP53
SCHEMBL16959252 0.78 L3MBTL1 (0.40) NQO1MEN1KMT2AKDM4EMAPT

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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