SCHEMBL11565244

SCHEMBL11565244

C=C(C)C/C=C/C(C)(C)N1CCOCC1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL11565246 1.00 MEN1 (0.34) MEN1KMT2AMAPTALDH1A1
SCHEMBL22096205 0.73 MEN1 (0.34) MEN1KMT2AALDH1A1
SCHEMBL11560571 0.71 GMNN (0.37) MEN1KMT2A
SCHEMBL11560573 0.71 GMNN (0.37) MEN1KMT2A
SCHEMBL12509609 0.68 SMN1; SMN2 (0.36) ALDH1A1
SCHEMBL18043141 0.67 KDM4E (0.36) MEN1KMT2AALDH1A1
SCHEMBL18043142 0.67 KDM4E (0.36) MEN1KMT2AALDH1A1
SCHEMBL26304327 0.66 ALOX15 (0.31) ALDH1A1
SCHEMBL31625697 0.66 ALDH1A1 (0.32) MEN1KMT2AMAPTALDH1A1
SCHEMBL1266718 0.65 SMN1; SMN2 (0.35) MEN1KMT2AMAPTALDH1A1

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-4175187-A REACTING ETHYLENE, SUBSTITUTED ETHYLENE WITH A SECONDARY AMINE AND A PALLADIUM CATALYST UNIVERSITY OF DELAWARE (US) 1979-11-20 US disclosed