SCHEMBL16951049

SCHEMBL16951049

CCCc1cccc([C](C)CO)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 3/20 0.44
▸ CYP4A11 Q02928 3/20 0.44
▸ KAT6A Q92794 2/20 0.43
▸ CNR1 P21554 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ PRSS1 P07477 1/20 0.38
▸ PRSS2 P07478 1/20 0.38
▸ PRSS3 P35030 1/20 0.38
▸ GRIN2D O15399 1/20 0.38
▸ GRIN3B O60391 1/20 0.38
▸ GRIN1 Q05586 1/20 0.38
▸ GRIN2A Q12879 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ GRIN2C Q14957 1/20 0.38
▸ GRIN3A Q8TCU5 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ LPL P06858 2/20 0.38
▸ LIPG Q9Y5X9 2/20 0.38
▸ DRD2 P14416 2/20 0.38
▸ DRD3 P35462 2/20 0.38

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
SCHEMBL16959566 0.89 CYP4F2 (0.48) CYP4F2CYP4A11LPLLIPGMAP1LC3B
SCHEMBL16953885 0.85 CYP4F2 (0.42) CYP4F2CYP4A11KAT6ACNR2PRSS1
SCHEMBL16957911 0.84 KAT6A (0.43) CYP4F2CYP4A11KAT6ACNR1CNR2
SCHEMBL16952321 0.82 PRSS1 (0.55) CYP4F2CYP4A11CNR2PRSS1PRSS2
SCHEMBL16958295 0.82 KAT6A (0.47) CYP4F2CYP4A11KAT6ACNR1CNR2
SCHEMBL16959939 0.80 CNR2 (0.36) CNR1CNR2LPLLIPGOPRM1
SCHEMBL3895302 0.80 CYP4F2 (0.50) CYP4F2CYP4A11KAT6ACNR1CNR2
SCHEMBL4958280 0.79 KAT6A (0.51) CYP4F2CYP4A11KAT6A
SCHEMBL1361055 0.79 KAT6A (0.44) CYP4F2CYP4A11KAT6ACNR1CNR2
SCHEMBL28741413 0.77 KAT6A (0.41) CYP4F2CYP4A11KAT6ACNR1CNR2

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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