SCHEMBL9804879

SCHEMBL9804879

O=C(Nc1ccccc1)C1C=CCCC1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
MAPT P10636 4/20 0.51
GAA P10253 3/20 0.51
RAB9A P51151 2/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GFER P55789 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HTT P42858 3/20 0.42
GLA P06280 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
SCHEMBL7964291 0.88 POLB (0.47) POLBTDP1MAPTGAARAB9A
SCHEMBL7693351 0.88 POLB (0.56) POLBTDP1MAPTGAARAB9A
SCHEMBL10720811 0.76 MAPT (0.35) POLBTDP1MAPTLMNAMEN1
Aniline SCHEMBL28187672 0.75 TSHR (0.35) POLBTDP1MAPTGAARAB9A
Phthalic Acid SCHEMBL8507821 0.75 ALDH1A1 (0.45) POLBMAPTGAARAB9AHPGD
Benzene SCHEMBL28106437 0.75 MAPT (0.35) POLBTDP1MAPTMEN1KMT2A
SCHEMBL27341 0.74 MAPT (0.37) POLBTDP1MAPTLMNAMEN1
SCHEMBL22390581 0.74 MAPT (0.37) POLBTDP1MAPTLMNAMEN1
SCHEMBL5585363 0.74 MAPT (0.37) POLBTDP1MAPTLMNAMEN1
Bromide SCHEMBL8064378 0.73 MAPT (0.36) POLBTDP1MAPTMEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-61103804-A None JP disclosed
US-4990176-A Selective, tolerated by cultivated plants CIBA-GEIGY CORPORATION (US) 1991-02-05 US disclosed
US-4940485-A Herbicidal 3-methylphthalimides CIBA-GEIGY CORPORATION (US) 1990-07-10 US disclosed
JP-S61103804-A HERBICIDAL COMPOSITION SUMITOMO CHEM CO LTD 1986-05-22 JP disclosed