SCHEMBL7618656

SCHEMBL7618656

CCC(CO)C(CCCCCCCCCCCCC(C)C)C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
LMNA P02545 4/20 0.33
KDM4C Q9H3R0 2/20 0.32
KDM4A O75164 1/20 0.32
PHF8 Q9UPP1 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32
EPHX1 P07099 1/20 0.32
BLM P54132 2/20 0.31
CETP P11597 2/20 0.30
CYP2D6 P10635 2/20 0.30
SPHK1 Q9NYA1 1/20 0.30
GMNN O75496 1/20 0.30
POLB P06746 1/20 0.30
THPO P40225 1/20 0.30
MTOR P42345 1/20 0.30
KDM4E B2RXH2 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 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
SCHEMBL7627305 1.00 CA1 (0.35) CA1CA2LMNAKDM4CKDM4A
SCHEMBL7622190 0.88 CA1 (0.34) CA1CA2LMNAKDM4CKDM4A
SCHEMBL7620410 0.88 CA1 (0.34) CA1CA2LMNAKDM4CKDM4A
SCHEMBL7629340 0.88 CA1 (0.34) CA1CA2LMNAKDM4CKDM4A
SCHEMBL7624349 0.88 CA2 (0.44) CA1CA2LMNAEPHX1BLM
SCHEMBL7625925 0.88 CA2 (0.44) CA1CA2LMNAEPHX1BLM
SCHEMBL7623781 0.88 CA2 (0.44) CA1CA2LMNAEPHX1BLM
SCHEMBL7621633 0.87 CA2 (0.41) CA1CA2LMNAEPHX1BLM
SCHEMBL7620552 0.87 CA2 (0.41) CA1CA2LMNAEPHX1BLM
SCHEMBL7623724 0.87 CA2 (0.41) CA1CA2LMNAEPHX1BLM

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
US-6444832-B1 OSTEOPOROSIS ESSWEIN ANGELIKA (DE) 2002-09-03 US disclosed
EP-0865422-B1 USE OF AMINOALCOHOLDERIVATIVES AS DRUGS, DERIVATIVES AND PROCESS FOR THEIR PREPARATION ROCHE DIAGNOSTICS GMBH (DE) 2001-07-11 EP disclosed