SCHEMBL16954923

SCHEMBL16954923

CCCc1cccc([C](C)C)c1OCC

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.38
▸ MAPK8 P45983 1/20 0.33
▸ MTNR1A P48039 1/20 0.33
▸ SLC2A1 P11166 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ DAO P14920 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ PTGS2 P35354 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
SCHEMBL16959851 0.86 GABRA1 (0.42) ELANEMAPK8NPC1TP53RAB9A
SCHEMBL16958923 0.85 ELANE (0.35) ELANEMAPK8MTNR1ASLC2A1NPC1
SCHEMBL16957848 0.84 ALOX5 (0.39) ELANENPC1RAB9ADAOLMNA
SCHEMBL16954353 0.84 NPC1 (0.42) NPC1TP53RAB9AKDM4ELMNA
SCHEMBL16955894 0.84 ELANE (0.35) ELANEMAPK8MTNR1ASLC2A1NPC1
SCHEMBL22588822 0.83 KMT2A (0.43) NPC1RAB9AKDM4ELMNAMAPT
SCHEMBL16956244 0.83 THRB (0.35) ELANEMAPK8MTNR1ANPC1RAB9A
SCHEMBL16959936 0.79 F2R (0.34) RAB9ADAOLMNAMAPTPTGS2
SCHEMBL11885014 0.79 CYP4F2 (0.40) ELANESLC2A1NPC1TP53RAB9A
SCHEMBL18263237 0.79 IAPP (0.44) ELANEKDM4EMAPT

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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