SCHEMBL16957084

SCHEMBL16957084

CCOc1c(I)cccc1[C](C)CO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BPTF Q12830 1/20 0.34
▸ TP53 P04637 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ALDH1A1 P00352 5/20 0.32
▸ MAPT P10636 4/20 0.32
▸ LMNA P02545 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ GAA P10253 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ RIN1 Q13671 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ HCRTR1 O43613 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MAPK1 P28482 1/20 0.31

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
SCHEMBL16956756 0.85 LMNA (0.33) BPTFTP53CYP3A4ALDH1A1MAPT
SCHEMBL16953848 0.84 BPTF (0.36) BPTFTP53CYP3A4ALDH1A1MAPT
SCHEMBL16962011 0.83 ALDH1A1 (0.33) TP53ALDH1A1MAPTMEN1RAB9A
SCHEMBL16951080 0.81 HCRTR1 (0.41) CYP3A4ALDH1A1MAPTLMNAMEN1
SCHEMBL16956644 0.81 KDM4E (0.40) CYP3A4ALDH1A1MAPTLMNARAB9A
SCHEMBL16957250 0.81 KDM4E (0.41) TP53ALDH1A1MAPTLMNAMEN1
SCHEMBL16952648 0.80 THRB (0.35) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL16961191 0.80 L3MBTL1 (0.42) TP53CYP3A4ALDH1A1MAPTLMNA
SCHEMBL16952126 0.80 GABRA1 (0.38) TP53ALDH1A1MAPTLMNAMEN1
SCHEMBL16955666 0.80 L3MBTL1 (0.37) ALDH1A1LMNAMEN1RAB9AKMT2A

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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