SCHEMBL16950489

SCHEMBL16950489

CCCc1cc(CO)cc([N+](=O)[O-])c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.45
HTT P42858 3/20 0.42
TSHR P16473 2/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
TTR P02766 1/20 0.40
NPBWR1 P48145 1/20 0.38
CYP19A1 P11511 1/20 0.38
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GALR3 O60755 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 3/20 0.37
GPR35 Q9HC97 1/20 0.36

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
SCHEMBL16962804 0.90 GPR84 (0.45) ALOX5HTTTSHRPOLBMEN1
SCHEMBL9886148 0.87 CYP19A1 (0.50) ALOX5HTTTSHRPOLBMEN1
SCHEMBL561018 0.87 CYP19A1 (0.48) HTTTSHRPOLBMEN1KMT2A
SCHEMBL16960540 0.85 HTT (0.48) ALOX5HTTTSHRPOLBMEN1
SCHEMBL716259 0.82 CYP19A1 (0.54) HTTTSHRPOLBMEN1KMT2A
SCHEMBL11640381 0.82 ALOX5 (0.45) ALOX5HTTTSHRPOLBMEN1
SCHEMBL9220960 0.80 ACHE (0.43) ALOX5HTTMAPTALDH1A1
SCHEMBL16954443 0.80 TSHR (0.61) ALOX5HTTTSHRPOLBMEN1
SCHEMBL30319435 0.79 TSHR (0.56) HTTTSHRPOLBMEN1KMT2A
SCHEMBL18407603 0.79 TSHR (0.56) HTTTSHRPOLBMEN1KMT2A

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