SCHEMBL16962011

SCHEMBL16962011

COc1c(I)cccc1[C](C)CO

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ HPGD P15428 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.30
▸ GAA P10253 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
SCHEMBL16958186 0.84 KMT2A (0.33) ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL16957084 0.83 BPTF (0.34) ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL16960493 0.81 ALDH1A1 (0.43) ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL16959741 0.81 KMT2A (0.35) ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL16950733 0.80 — —
SCHEMBL16952465 0.80 CA1 (0.44) ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL16962927 0.80 KMT2A (0.50) ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL16954145 0.79 NOTUM (0.38) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL16956129 0.79 KMT2A (0.36) ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL16958581 0.77 GABRA1 (0.39) ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A

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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