SCHEMBL16953301

SCHEMBL16953301

[CH2]c1cc(Cl)cc(OC(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 5/20 0.35
MAP4K4 O95819 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
ALDH1A1 P00352 3/20 0.32
MAOB P27338 2/20 0.32
GAA P10253 2/20 0.32
ALDH1A3 P47895 1/20 0.31
MAOA P21397 1/20 0.31
CNR1 P21554 1/20 0.31
P2RX3 P56373 2/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 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
SCHEMBL12363682 0.84 TSHR (0.42) FFAR4MAP4K4GRIN2DGRIN3BGRIN1
SCHEMBL900785 0.79 LMNA (0.36) GAALMNAKMT2A
SCHEMBL19088278 0.77 ALDH1A1 (0.48) FFAR4ALDH1A1MAOBGAAMAOA
SCHEMBL16483015 0.77 FFAR4 (0.37) FFAR4MAP4K4GRIN2DGRIN3BGRIN1
SCHEMBL7667026 0.76 ALDH1A1 (0.46) FFAR4ALDH1A1HPGD
SCHEMBL18282325 0.75 RORC (0.39) FFAR4MAP4K4GRIN2DGRIN3BGRIN1
SCHEMBL16961172 0.75 KAT6A (0.35) FFAR4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL16962181 0.75 GRIN2D (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL16955481 0.75 RORC (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL16959418 0.75 GRIN2D (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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