SCHEMBL16957962

SCHEMBL16957962

[CH2]C(CO)c1cc(Br)ccc1OC(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ LMNA P02545 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ AR P10275 1/20 0.34
▸ HPGD P15428 3/20 0.34
▸ TSHR P16473 2/20 0.34
▸ PTGDR2 Q9Y5Y4 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ CSNK2A1 P68400 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ HRH4 Q9H3N8 1/20 0.32
▸ NPC1 O15118 1/20 0.32

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
SCHEMBL16953498 0.84 HPGD (0.34) SMN1; SMN2LMNAALDH1A1HTTHPGD
SCHEMBL16960018 0.84 KDM4E (0.39) SMN1; SMN2LMNAALDH1A1MAPTHTT
SCHEMBL16961643 0.83 HPGD (0.48) SMN1; SMN2LMNAALDH1A1HTTHPGD
SCHEMBL16955569 0.83 IDO1 (0.38) SMN1; SMN2LMNAALDH1A1MAPTHTT
SCHEMBL16960402 0.82 ALDH1A1 (0.40) SMN1; SMN2LMNAALDH1A1POLBMAPT
SCHEMBL16962915 0.81 CSNK2A1 (0.40) SMN1; SMN2LMNAALDH1A1HPGDTSHR
SCHEMBL16954024 0.81 KCNH2 (0.36) MAPTHPGDMEN1KMT2ACSNK2A1
SCHEMBL16950480 0.81 IRAK4 (0.37) ARPTGDR2
SCHEMBL16955958 0.80 ADRA1A (0.45) HTTMEN1KMT2ANPSR1
SCHEMBL5884350 0.78 ALDH1A1 (0.42) SMN1; SMN2LMNAALDH1A1POLBMAPT

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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