SCHEMBL16957336

SCHEMBL16957336

CCc1cccc([C](C)CF)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 1/20 0.41
▸ CYP4F2 P78329 2/20 0.41
▸ CYP4A11 Q02928 2/20 0.41
▸ KAT6A Q92794 2/20 0.40
▸ SMYD3 Q9H7B4 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ LOXL2 Q9Y4K0 2/20 0.39
▸ TP53 P04637 1/20 0.38
▸ IDO1 P14902 1/20 0.37
▸ SLC7A5 Q01650 1/20 0.36
▸ TRPA1 O75762 1/20 0.36
▸ MGLL Q99685 1/20 0.36
▸ MEP1B Q16820 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2A6 P11509 1/20 0.35
▸ FOLH1 Q04609 1/20 0.35
▸ PRSS1 P07477 1/20 0.35
▸ PRSS2 P07478 1/20 0.35
▸ PRSS3 P35030 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
SCHEMBL16957911 0.85 KAT6A (0.43) CYP4F2CYP4A11KAT6ACNR2
SCHEMBL16953728 0.85 PRSS1 (0.52) CYP4F2CYP4A11SMYD3CNR2TP53
SCHEMBL16953885 0.82 CYP4F2 (0.42) BCL2CYP4F2CYP4A11KAT6ASMYD3
SCHEMBL16954812 0.82 CYP4F2 (0.47) CYP4F2CYP4A11
SCHEMBL16955110 0.80 SLC7A5 (0.40) SLC7A5FOLH1
SCHEMBL16955621 0.79 RXRA (0.37) TRPA1
SCHEMBL16954571 0.79 BCL2 (0.46) BCL2CYP4F2CYP4A11KAT6ASMYD3
SCHEMBL16952703 0.78 C1S (0.47) TP53CYP1A2
SCHEMBL1363307 0.76 BCL2 (0.43) BCL2CYP4F2CYP4A11KAT6ASMYD3
SCHEMBL16957874 0.76 PARP1 (0.48) CYP1A2

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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