SCHEMBL16956015

SCHEMBL16956015

[CH2]C(C)c1cc(OCC)ccc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.61
ALDH1A1 P00352 5/20 0.61
LMNA P02545 1/20 0.61
KMT2A Q03164 7/20 0.47
MEN1 O00255 6/20 0.47
MAPK1 P28482 2/20 0.47
RECQL P46063 1/20 0.47
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 1/20 0.45
HPGD P15428 1/20 0.45
NPC1 O15118 6/20 0.43
RAB9A P51151 6/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
PKM P14618 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.43
PTGS2 P35354 1/20 0.43
NFKB1 P19838 1/20 0.42

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
SCHEMBL16950814 0.85 MAPT (0.58) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL16958210 0.84 ALDH1A1 (0.47) MAPTALDH1A1LMNAMAPK1HPGD
SCHEMBL16962262 0.84 MAPT (0.61) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL6677275 0.80 MAPT (0.73) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL16955293 0.80 MAPT (0.67) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL16961595 0.79 TXNRD1 (0.40) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL17458659 0.78 MAPT (0.57) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL16094850 0.78 MAPT (0.57) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL17466584 0.78 MAPT (0.57) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL22291692 0.78 MAPT (0.69) MAPTALDH1A1LMNAKMT2AMEN1

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