SCHEMBL16953885

SCHEMBL16953885

CCc1cccc([C](C)CO)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 3/20 0.42
▸ CYP4A11 Q02928 3/20 0.42
▸ BCL2 P10415 1/20 0.42
▸ KAT6A Q92794 2/20 0.41
▸ SMYD3 Q9H7B4 1/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ PRSS1 P07477 1/20 0.40
▸ PRSS2 P07478 1/20 0.40
▸ PRSS3 P35030 1/20 0.40
▸ LOXL2 Q9Y4K0 2/20 0.40
▸ TP53 P04637 1/20 0.39
▸ IDO1 P14902 1/20 0.38
▸ TRPA1 O75762 1/20 0.38
▸ SLC7A5 Q01650 1/20 0.37
▸ MGLL Q99685 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2A6 P11509 1/20 0.36
▸ FOLH1 Q04609 1/20 0.36
▸ RAPGEF4 Q8WZA2 1/20 0.35

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
SCHEMBL16952321 0.86 PRSS1 (0.55) CYP4F2CYP4A11SMYD3CNR2PRSS1
SCHEMBL16951049 0.85 CYP4F2 (0.44) CYP4F2CYP4A11KAT6ACNR2PRSS1
SCHEMBL16957336 0.82 BCL2 (0.41) CYP4F2CYP4A11BCL2KAT6ASMYD3
SCHEMBL16959566 0.82 CYP4F2 (0.48) CYP4F2CYP4A11
SCHEMBL16954571 0.81 BCL2 (0.46) CYP4F2CYP4A11BCL2KAT6ASMYD3
SCHEMBL16961158 0.79 SLC7A5 (0.41) CYP4F2CYP4A11PRSS1PRSS2PRSS3
SCHEMBL16962247 0.79 RXRA (0.38) TRPA1
SCHEMBL924897 0.78 CYP4F2 (0.49) CYP4F2CYP4A11BCL2KAT6ASMYD3
SCHEMBL18405471 0.78 NOS1 (0.50) CYP4F2CYP4A11BCL2KAT6ASMYD3
SCHEMBL1363307 0.78 BCL2 (0.43) CYP4F2CYP4A11BCL2KAT6ASMYD3

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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