SCHEMBL16958119

SCHEMBL16958119

CCc1cccc([C](C)CO)c1F

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KAT6A Q92794 2/20 0.44
▸ GABRA1 P14867 4/20 0.42
▸ GABRB2 P47870 4/20 0.42
▸ CLCN2 P51788 1/20 0.36
▸ RIPK1 Q13546 1/20 0.35
▸ CES2 O00748 1/20 0.34
▸ BCHE P06276 1/20 0.34
▸ CES1 P23141 1/20 0.34
▸ MRGPRX4 Q96LA9 3/20 0.33
▸ HTT P42858 2/20 0.33
▸ DAO P14920 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ F2R P25116 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ PDK2 Q15119 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
SCHEMBL16959503 0.87 KAT6A (0.46) KAT6AGABRA1GABRB2CLCN2RIPK1
SCHEMBL16951986 0.87 PDCD1 (0.35) KAT6AGABRA1GABRB2CES2BCHE
SCHEMBL16951874 0.86 KAT6A (0.34) KAT6AGABRA1GABRB2RIPK1DAO
SCHEMBL16951653 0.82 KAT6A (0.48) KAT6AGABRA1GABRB2CLCN2RIPK1
SCHEMBL4876639 0.81 KAT6A (0.50) KAT6AGABRA1GABRB2CLCN2RIPK1
SCHEMBL16950705 0.81 GABRA1 (0.45) GABRA1GABRB2CLCN2MRGPRX4HTT
SCHEMBL18866792 0.79 KAT6A (0.46) KAT6AGABRA1GABRB2CLCN2RIPK1
SCHEMBL16962140 0.79 GABRA1 (0.43) KAT6AGABRA1GABRB2CLCN2MRGPRX4
SCHEMBL16953106 0.79 CES2 (0.31) CES2BCHECES1
SCHEMBL16954240 0.79 CES2 (0.52) KAT6ARIPK1CES2BCHECES1

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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