SCHEMBL11271064

SCHEMBL11271064

C=C(CN1CCC(N2CCCC2)CC1)C(C)=O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
L3MBTL3 Q96JM7 9/20 0.40
L3MBTL1 Q9Y468 8/20 0.40
MBTD1 Q05BQ5 6/20 0.40
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TP53BP1 Q12888 3/20 0.39
L3MBTL4 Q8NA19 2/20 0.39
MAPT P10636 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
MAPK1 P28482 1/20 0.38

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
SCHEMBL12226458 0.82 KDM4E (0.51) KDM4EALDH1A1L3MBTL3L3MBTL1MBTD1
SCHEMBL24331648 0.82 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MAPT
SCHEMBL12640340 0.81 KDM4E (0.54) KDM4EALDH1A1L3MBTL3L3MBTL1MBTD1
SCHEMBL11269504 0.80 ALDH1A1 (0.53) ALDH1A1L3MBTL1SMN1; SMN2MAPTMAPK1
SCHEMBL11274698 0.79 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2
SCHEMBL28865573 0.78 ALDH1A1 (0.46) KDM4EALDH1A1L3MBTL3L3MBTL1MBTD1
SCHEMBL5173732 0.77 KDM4E (0.56) KDM4EALDH1A1L3MBTL3L3MBTL1MBTD1
Hydrochloric Acid SCHEMBL1373936 0.75 KDM4E (0.55) KDM4EALDH1A1L3MBTL3L3MBTL1MBTD1
SCHEMBL4041964 0.75 KDM4E (0.59) KDM4EALDH1A1L3MBTL3L3MBTL1MBTD1
SCHEMBL4472836 0.75 KDM4E (0.51) KDM4EALDH1A1L3MBTL3L3MBTL1MBTD1

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
US-4316903-A BACTERICIDES AND FUNGICIDES MERCK & CO., INC. (US) 1982-02-23 US disclosed