SCHEMBL27467014

SCHEMBL27467014

O=C(OCCCCN1CCOCC1)c1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.63
GAA P10253 2/20 0.63
PKM P14618 1/20 0.63
ATM Q13315 1/20 0.63
BCHE P06276 2/20 0.61
TDP1 Q9NUW8 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.58
ALDH1A1 P00352 6/20 0.57
MAPT P10636 2/20 0.57
KMT2A Q03164 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57

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
SCHEMBL501720 0.90 ATM (0.76) KDM4EGAAPKMATML3MBTL1
SCHEMBL14369843 0.89 ATM (0.74) KDM4EGAAPKMATML3MBTL1
SCHEMBL5350446 0.89 ATM (0.74) KDM4EGAAPKMATML3MBTL1
SCHEMBL27914544 0.88 GAA (0.66) KDM4EGAAPKMATML3MBTL1
SCHEMBL19354714 0.84 L3MBTL1 (0.80) KDM4EGAAPKMATMTDP1
SCHEMBL501945 0.82 ATM (0.73) KDM4EGAAATML3MBTL1ALDH1A1
SCHEMBL8355590 0.81 CYP2D6 (0.76) KDM4EGAABCHETDP1ALDH1A1
SCHEMBL27466577 0.81 BCHE (0.59) BCHETDP1
SCHEMBL230276 0.81 NPC1 (0.58) GAAATML3MBTL1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL8622970 0.80 CYP2D6 (0.74) KDM4EGAABCHETDP1ALDH1A1

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
CN-1136556-A Aromatic group substituted W-amino alkyl amide and alkyl amide CIBA GEIGY CO LTD (CH) 1996-11-27 CN disclosed