SCHEMBL4957577

SCHEMBL4957577

CCCCCC#COC(=O)OC(C)C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
PTPN7 P35236 5/20 0.41
HMGCR P04035 4/20 0.41
RECQL P46063 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
MCL1 Q07820 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EPHX2 P34913 2/20 0.34

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
SCHEMBL873830 0.84 PTPN7 (0.44) PTPN7HMGCRRECQLTDP1KDM4E
SCHEMBL874696 0.82 PTPN7 (0.47) PTPN7HMGCRRECQLTDP1KDM4E
SCHEMBL872742 0.79 PTPN7 (0.43) PTPN7HMGCRRECQLTDP1KDM4E
SCHEMBL28984115 0.78 HMGCR (0.39) LMNAPTPN7HMGCRRECQLTDP1
SCHEMBL874122 0.78 PTPN7 (0.37) PTPN7HMGCRRECQLTDP1KDM4E
SCHEMBL874065 0.77 PTPN7 (0.46) PTPN7HMGCRRECQLTDP1KDM4E
SCHEMBL1088584 0.75 LMNA (0.47) LMNAPTPN7HMGCRRECQLTDP1
SCHEMBL6473104 0.74 PTPN7 (0.50) PTPN7HMGCRRECQLTDP1KDM4E
SCHEMBL3401186 0.74 PTPN7 (0.50) PTPN7HMGCRRECQLTDP1KDM4E
SCHEMBL28637783 0.74 PTPN7 (0.50) PTPN7HMGCRRECQLTDP1KDM4E

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-20080221003-A1 CONSUMER PRODUCTS HAVING VARYING ODOR PATTERNS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-09-11 US disclosed
US-20080207481-A1 CONSUMER PRODUCTS HAVING VARYING ODORS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-08-28 US disclosed