SCHEMBL16961877

SCHEMBL16961877

[C]#Cc1ccc(OCC)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ RORC P51449 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ TRPV4 Q9HBA0 1/20 0.42
▸ LMNA P02545 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ PDE5A O76074 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MCL1 Q07820 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ CSNK2A1 P68400 2/20 0.39
▸ NPC1 O15118 2/20 0.38

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
SCHEMBL435768 0.82 TRPV4 (0.56) MAPTRAB9AL3MBTL1RORCATM
SCHEMBL2702726 0.82 RORC (0.50) MAPTRAB9AL3MBTL1RORCATM
SCHEMBL16957724 0.82 MAPT (0.46) MAPTRAB9AL3MBTL1RORCATM
SCHEMBL1547765 0.75 TDP1 (0.56) MAPTRAB9AL3MBTL1RORCATM
SCHEMBL2611833 0.73 MAPT (0.75) MAPTRAB9AL3MBTL1RORCATM
SCHEMBL3786617 0.73 NQO1 (0.52) MAPTRAB9AL3MBTL1RORCATM
SCHEMBL12412421 0.73 CYP2C19 (0.64) MAPTRAB9AL3MBTL1RORCATM
SCHEMBL2220583 0.72 RORC (0.54) MAPTRAB9AL3MBTL1RORCATM
SCHEMBL12300310 0.72 MAPT (0.54) MAPTRAB9AL3MBTL1RORCATM
SCHEMBL3993850 0.72 TSHR (0.58) MAPTRAB9AL3MBTL1RORCATM

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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