SCHEMBL16957419

SCHEMBL16957419

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 1/20 0.39
▸ MAOA P21397 2/20 0.35
▸ MAOB P27338 2/20 0.35
▸ CTSA P10619 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ XBP1 P17861 1/20 0.34
▸ KAT6A Q92794 2/20 0.34
▸ NR1H4 Q96RI1 3/20 0.33
▸ CYP4F2 P78329 1/20 0.33
▸ CYP4A11 Q02928 1/20 0.33
▸ RARA P10276 1/20 0.32
▸ RARB P10826 1/20 0.32
▸ RARG P13631 1/20 0.32
▸ GCK P35557 1/20 0.32
▸ PDK2 Q15119 1/20 0.32
▸ NAMPT P43490 2/20 0.32
▸ FOS P01100 1/20 0.31
▸ JUN P05412 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
SCHEMBL16950724 0.85 FFAR4 (0.41) FFAR4MAOAMAOBCTSAMAPT
SCHEMBL16953386 0.83 F2 (0.35) MAPTPOLBHPGDXBP1KAT6A
SCHEMBL16957061 0.83 MAOB (0.36) MAOBMAPTPOLBHPGDXBP1
SCHEMBL16956610 0.83 HPGD (0.40) MAPTPOLBHPGDXBP1RARA
SCHEMBL16957056 0.83 MEN1 (0.37) MAPTPOLBHPGDXBP1KAT6A
SCHEMBL16960305 0.82 KAT6A (0.42) FFAR4MAOBKAT6ACYP4F2CYP4A11
SCHEMBL16956509 0.81 MAPT (0.34) MAPTPOLBHPGDXBP1KAT6A
SCHEMBL16951305 0.81 MAPT (0.34) MAPTPOLBHPGDXBP1KAT6A
SCHEMBL16952431 0.81 HPGD (0.37) MAPTPOLBHPGDXBP1KAT6A
SCHEMBL16954871 0.81 KAT6A (0.41) FFAR4POLBKAT6ACYP4F2CYP4A11

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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