SCHEMBL4744735

SCHEMBL4744735

CC(C)NCCCCCCNC(C)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.37
HRH3 Q9Y5N1 2/20 0.37
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
ADRB2 P07550 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
SCHEMBL840007 0.93 GRIA1 (0.32)
SCHEMBL3690414 0.86 ALDH1A1 (0.36) ALDH1A1
SCHEMBL14864944 0.84 EPHX1 (0.42) HRH3KDM4EALDH1A1
SCHEMBL21799582 0.82 PAOX (0.38) ALDH1A1
SCHEMBL21799741 0.82 PAOX (0.38) ALDH1A1
SCHEMBL23945705 0.82
SCHEMBL21799645 0.82 PAOX (0.38) ALDH1A1
SCHEMBL21799673 0.82 PAOX (0.38) ALDH1A1
SCHEMBL21799632 0.82 PAOX (0.38) ALDH1A1
SCHEMBL22126222 0.82 PAOX (0.38) ALDH1A1

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
WO-2008100772-A1 CHAIN EXTENDERS ALBEMARLE CORPORATION (US) 2008-08-21 WO disclosed