SCHEMBL29336121

SCHEMBL29336121

C=CCN(C/C=C(\C)CCC=C(C)C)CCC

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
KMT2A Q03164 3/20 0.46
SQLE Q14534 4/20 0.44
ALOX15 P16050 3/20 0.43
MEN1 O00255 2/20 0.43
CYP3A4 P08684 2/20 0.43
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
UGT1A1 P22309 1/20 0.42
ATM Q13315 1/20 0.40

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
SCHEMBL20871383 0.91 KDM4E (0.49) KDM4EKMT2ASQLEALOX15MEN1
SCHEMBL22340479 0.89 KDM4E (0.48) KDM4EKMT2ASQLEALOX15MEN1
SCHEMBL25244004 0.88 KDM4E (0.59) KDM4EKMT2ASQLEALOX15MEN1
SCHEMBL9461327 0.88 KDM4E (0.59) KDM4EKMT2ASQLEALOX15MEN1
SCHEMBL9461328 0.88 KDM4E (0.59) KDM4EKMT2ASQLEALOX15MEN1
SCHEMBL20871256 0.88 KDM4E (0.47) KDM4EKMT2ASQLEALOX15MEN1
SCHEMBL22340879 0.88 KDM4E (0.47) KDM4EKMT2ASQLEALOX15MEN1
SCHEMBL20871423 0.88 KDM4E (0.47) KDM4EKMT2ASQLEALOX15MEN1
SCHEMBL22340920 0.88 KDM4E (0.47) KDM4EKMT2ASQLEALOX15MEN1
SCHEMBL22340856 0.87 KDM4E (0.51) KDM4EKMT2ASQLEALOX15MEN1

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-3707132-B1 NEW METHOD FOR THE SYNTHESIS OF UNSYMMETRICAL TERTIARY AMINES UNIV PARIS SACLAY (FR) 2024-07-17 EP disclosed