SCHEMBL7626532

SCHEMBL7626532

CCCCCCCCC#CCCCCCCC(C(N)=O)C(CC)CO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 5/20 0.42
HMGCR P04035 3/20 0.42
RECQL P46063 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
BLM P54132 1/20 0.37
KMT2A Q03164 1/20 0.37
MCL1 Q07820 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.37
SPHK1 Q9NYA1 1/20 0.36

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
SCHEMBL7620495 0.91 PTPN7 (0.42) PTPN7HMGCRRECQLTDP1KDM4E
SCHEMBL7623781 0.91 CA2 (0.44) CA1CA2KDM4EPOLBMAPT
SCHEMBL7624349 0.91 CA2 (0.44) CA1CA2KDM4EPOLBMAPT
SCHEMBL7625925 0.91 CA2 (0.44) CA1CA2KDM4EPOLBMAPT
SCHEMBL7624494 0.88 PTPN7 (0.39) PTPN7HMGCRRECQLTDP1CA1
SCHEMBL7626038 0.86 HMGCR (0.46) PTPN7HMGCR
SCHEMBL7620403 0.84 PTPN7 (0.41) PTPN7HMGCRRECQLTDP1KDM4E
SCHEMBL7620559 0.84 PTPN7 (0.44) PTPN7HMGCRRECQLTDP1KDM4E
SCHEMBL7622261 0.82 FAAH (0.50) PTPN7RECQLKDM4EMEN1USP2
SCHEMBL7621353 0.82 FAAH (0.50) PTPN7RECQLKDM4EMEN1USP2

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-6444832-B1 OSTEOPOROSIS ESSWEIN ANGELIKA (DE) 2002-09-03 US disclosed