SCHEMBL16952746

SCHEMBL16952746

C=[C]c1cc(OCC)cc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.44
▸ RXRB P28702 1/20 0.44
▸ RXRG P48443 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ ATM Q13315 1/20 0.42
▸ MAPK1 P28482 1/20 0.38
▸ NQO1 P15559 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ NPY1R P25929 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ CYP1A1 P04798 1/20 0.36
▸ CYP1B1 Q16678 1/20 0.36
▸ PAX8 Q06710 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ SOD1 P00441 1/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.33

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
SCHEMBL16955550 0.86 FAAH (0.42) L3MBTL1CYP1A1CYP1B1
SCHEMBL16957166 0.85 NQO1 (0.39) RXRARXRBRXRGL3MBTL1MAPT
SCHEMBL16952665 0.83 SCN9A (0.42) RXRARXRBRXRGMAPTSOD1
SCHEMBL16955449 0.82 NQO1 (0.50) MAPTNQO1ALDH1A1TSHRTDP1
SCHEMBL12128793 0.82 RXRA (0.53) RXRARXRBRXRGL3MBTL1MAPT
SCHEMBL16957340 0.81 GRM5 (0.40) RXRARXRBRXRGL3MBTL1MAPT
SCHEMBL16961413 0.80 L3MBTL1 (0.43) L3MBTL1MAPTLMNAATMMAPK1
SCHEMBL16953945 0.77 NQO1 (0.41) L3MBTL1MAPTNQO1ALDH1A1GAA
SCHEMBL16952298 0.77 RXRA (0.47) RXRARXRBRXRGL3MBTL1MAPT
SCHEMBL16958401 0.75 CES2 (0.41) RXRARXRBRXRGMAPTALDH1A1

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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