SCHEMBL16953386

SCHEMBL16953386

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 5/20 0.35
▸ HPGD P15428 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ XBP1 P17861 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NR1H4 Q96RI1 2/20 0.34
▸ RARA P10276 1/20 0.33
▸ RARB P10826 1/20 0.33
▸ RARG P13631 1/20 0.33
▸ GCK P35557 1/20 0.33
▸ ADRB2 P07550 1/20 0.33
▸ ADRB1 P08588 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ KAT6A Q92794 1/20 0.32
▸ TSHR P16473 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
SCHEMBL16958080 0.85 POLB (0.37) F2HPGDPOLBMAPTXBP1
SCHEMBL16957056 0.84 MEN1 (0.37) HPGDPOLBMAPTXBP1KMT2A
SCHEMBL16956610 0.84 HPGD (0.40) HPGDPOLBMAPTXBP1KMT2A
SCHEMBL16957061 0.84 MAOB (0.36) HPGDPOLBMAPTXBP1NR1H4
SCHEMBL16956509 0.83 MAPT (0.34) HPGDPOLBMAPTXBP1KMT2A
SCHEMBL16957419 0.83 FFAR4 (0.39) HPGDPOLBMAPTXBP1NR1H4
SCHEMBL16951305 0.83 MAPT (0.34) HPGDPOLBMAPTXBP1NR1H4
SCHEMBL16952431 0.83 HPGD (0.37) HPGDPOLBMAPTXBP1KMT2A
SCHEMBL13678481 0.82 MAPT (0.44) F2POLBMAPTNR1H4RARA
SCHEMBL16955879 0.81 KAT6A (0.42) HPGDKMT2ATP53ALOX15KAT6A

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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