SCHEMBL7824601

SCHEMBL7824601

CCC(CCN)CC[C@@H]1CC2C=C[C@@H]1C2

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL7828309 0.86 KDM4E (0.41) KDM4EALDH1A1MEN1HTTKMT2A
SCHEMBL22042319 0.78 KDM4E (0.41) KDM4EALDH1A1MEN1HTTKMT2A
SCHEMBL4786418 0.76 KDM4E (0.44) KDM4EALDH1A1MEN1HTTKMT2A
SCHEMBL17818863 0.75 KDM4E (0.43) KDM4EALDH1A1MEN1HTTKMT2A
SCHEMBL2510265 0.75 KDM4E (0.43) KDM4EALDH1A1MEN1HTTKMT2A
SCHEMBL12112124 0.75 KDM4E (0.43) KDM4EALDH1A1MEN1HTTKMT2A
SCHEMBL1305073 0.72 KDM4E (0.41) KDM4EALDH1A1MEN1HTTKMT2A
SCHEMBL1245752 0.72 KDM4E (0.40) KDM4EALDH1A1MEN1HTTKMT2A
SCHEMBL109229 0.72 KDM4E (0.52) KDM4EALDH1A1MEN1HTTKMT2A
SCHEMBL4742262 0.71 KDM4E (0.41) KDM4EALDH1A1MEN1HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1087938-A1 INHIBITORS OF NEURAMINIDASES ABBOTT LABORATORIES (US) 2001-04-04 EP disclosed
WO-1999054290-A1 INHIBITORS OF NEURAMINIDASES ABBOTT LABORATORIES (US) 1999-10-28 WO disclosed