SCHEMBL9712206

SCHEMBL9712206

CCCCCCC#CC[C@H](C)O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 5/20 0.48
HMGCR P04035 4/20 0.48
RECQL P46063 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
MCL1 Q07820 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EPHX2 P34913 2/20 0.39
SPHK1 Q9NYA1 1/20 0.38

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
SCHEMBL29625174 1.00 PTPN7 (0.48) PTPN7HMGCRRECQLTDP1KDM4E
SCHEMBL9135760 1.00 PTPN7 (0.48) PTPN7HMGCRRECQLTDP1KDM4E
SCHEMBL29625159 1.00 PTPN7 (0.48) PTPN7HMGCRRECQLTDP1KDM4E
SCHEMBL9717932 0.98 PTPN7 (0.45) PTPN7HMGCRRECQLTDP1KDM4E
SCHEMBL19959103 0.98 PTPN7 (0.45) PTPN7HMGCRRECQLTDP1KDM4E
SCHEMBL11814246 0.83 PTPN7 (0.48) PTPN7HMGCRRECQLTDP1KDM4E
SCHEMBL4537639 0.81
SCHEMBL31650672 0.80 PTPN7 (0.45) PTPN7HMGCRRECQLTDP1KDM4E
SCHEMBL11808664 0.80 PTPN7 (0.45) PTPN7HMGCRRECQLTDP1KDM4E
SCHEMBL9547965 0.79 PTPN7 (0.43) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992009199-A1 METHOD OF ATTRACTING MALE HESSIAN FLIES KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) 1992-06-11 WO disclosed