SCHEMBL7620403

SCHEMBL7620403

CCCCCCCCC#CCCCCCCC(C(N)=O)C(CCC)CCO

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 5/20 0.41
HMGCR P04035 3/20 0.41
RECQL P46063 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
SELP P16109 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
MCL1 Q07820 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EPHX2 P34913 2/20 0.35

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 0.90 PTPN7 (0.42) PTPN7HMGCRRECQLTDP1KDM4E
SCHEMBL7624494 0.87 PTPN7 (0.39) PTPN7HMGCRRECQLTDP1KDM4E
SCHEMBL7626038 0.84 HMGCR (0.46) PTPN7HMGCRSELP
SCHEMBL7626532 0.84 PTPN7 (0.42) PTPN7HMGCRRECQLTDP1KDM4E
SCHEMBL7624156 0.80 LMNA (0.44) KDM4EPOLBMAPTBLM
SCHEMBL7617672 0.80 LMNA (0.44) KDM4EPOLBMAPTBLM
SCHEMBL27468850 0.80 LMNA (0.44) KDM4EPOLBMAPTBLM
SCHEMBL7623699 0.80 LMNA (0.44) KDM4EPOLBMAPTBLM
SCHEMBL7620559 0.79 PTPN7 (0.44) PTPN7HMGCRRECQLTDP1KDM4E
SCHEMBL30679515 0.79 GPR84 (0.45) MAPT

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