SCHEMBL16950625

SCHEMBL16950625

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

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KAT6A Q92794 1/20 0.32
▸ F2R P25116 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ XBP1 P17861 1/20 0.31
▸ NR1H4 Q96RI1 2/20 0.31
▸ SCN9A Q15858 3/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ HIF1A Q16665 1/20 0.30
▸ RARA P10276 1/20 0.30
▸ RARB P10826 1/20 0.30
▸ RARG P13631 1/20 0.30
▸ GCK P35557 1/20 0.30

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
SCHEMBL16951650 0.84 EPHX2 (0.35) LMNAF2RPOLBMAPTNR1H4
SCHEMBL16959744 0.84 POLB (0.35) KAT6AF2RPOLBMAPTHPGD
SCHEMBL16959323 0.81 F2 (0.34) LMNAGAAHTTKAT6APOLB
SCHEMBL16956238 0.81 MEN1 (0.35) LMNAGAAHTTKAT6APOLB
SCHEMBL16955186 0.81 HPGD (0.38) LMNAGAAHTTPOLBMAPT
SCHEMBL16951560 0.81 PLA2G2A (0.39) GAAMAPT
SCHEMBL16956254 0.80 MAOB (0.34) LMNAGAAHTTKAT6APOLB
SCHEMBL16956751 0.80 FFAR4 (0.37) LMNAGAAHTTKAT6APOLB
SCHEMBL16956036 0.80 ALDH1A1 (0.34) LMNAGAAHTTKAT6APOLB
SCHEMBL16960878 0.80 POLB (0.35) LMNAGAAHTTKAT6APOLB

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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