SCHEMBL16953266

SCHEMBL16953266

C[C](C)c1cc(Br)cc(OC(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ NOTUM Q6P988 1/20 0.40
▸ GPBAR1 Q8TDU6 1/20 0.38
▸ DDR1 Q08345 4/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ MGLL Q99685 1/20 0.36
▸ PGR P06401 1/20 0.36
▸ WDR5 P61964 3/20 0.35
▸ ADORA3 P0DMS8 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC3 O15379 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ GPR3 P46089 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ GRIN2B Q13224 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
SCHEMBL16953043 0.86 ADORA3 (0.36) ADORA3GPR3MAPTGRIN2B
SCHEMBL14994044 0.86 CA1 (0.39) CA1CA2CA7CA9NOTUM
SCHEMBL13807307 0.86 NOTUM (0.45) CA1CA2CA7CA9NOTUM
SCHEMBL1868624 0.81 NOTUM (0.64) CA1CA2CA7CA9NOTUM
SCHEMBL31401414 0.81 NOTUM (0.64) CA1CA2CA7CA9NOTUM
SCHEMBL1871974 0.80 WDR5 (0.51) CA1CA2CA7CA9NOTUM
SCHEMBL29482059 0.80 WDR5 (0.51) CA1CA2CA7CA9NOTUM
SCHEMBL16950549 0.80 MRGPRX4 (0.38) DDR1WDR5HDAC3HDAC1HDAC2
SCHEMBL1510479 0.80 PGR (0.39) CA1CA2CA7CA9NOTUM
SCHEMBL12160006 0.80 PGR (0.39) CA1CA2CA7CA9NOTUM

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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