SCHEMBL16953467

SCHEMBL16953467

C#Cc1c(C)cccc1[C](C)CO

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ HPGD P15428 3/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ APEX1 P27695 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL16955633 0.84 NPC1 (0.33) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL16953157 0.82 TSHR (0.32) ALDH1A1POLBSMN1; SMN2
SCHEMBL16955646 0.82 MEN1 (0.33) MEN1KMT2A
SCHEMBL16957472 0.82 CYP1A2 (0.42) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL16955373 0.81 ALDH1A1 (0.36) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL16960823 0.81 PYCR1 (0.33) HPGD
SCHEMBL16952592 0.81 CES2 (0.32) KMT2A
SCHEMBL16960328 0.81 — —
SCHEMBL16955699 0.79 GABRA1 (0.38) —
SCHEMBL16962009 0.79 CA2 (0.38) ALDH1A1

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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