SCHEMBL4865379

SCHEMBL4865379

CCCCCCCCCCCCCCCCC#CC#CC(N)=O

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 7/20 0.59
PTPN7 P35236 5/20 0.59
SELP P16109 1/20 0.53
RECQL P46063 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
EPHX2 P34913 4/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
MCL1 Q07820 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL8761928 1.00 HMGCR (0.59) HMGCRPTPN7SELPRECQLTDP1
SCHEMBL10464578 0.98 HMGCR (0.58) HMGCRPTPN7SELPRECQLTDP1
SCHEMBL7623766 0.86 PTPN7 (0.53) HMGCRPTPN7SELPRECQLTDP1
SCHEMBL28658232 0.86 PTPN7 (0.53) HMGCRPTPN7SELPRECQLTDP1
SCHEMBL1198893 0.84 PTPN7 (0.50) HMGCRPTPN7SELPRECQLTDP1
SCHEMBL414528 0.82 HMGCR (0.67) HMGCRPTPN7SELPRECQLTDP1
SCHEMBL1540252 0.82 HMGCR (0.67) HMGCRPTPN7SELPRECQLTDP1
SCHEMBL1933871 0.82 HMGCR (0.67) HMGCRPTPN7SELPRECQLTDP1
SCHEMBL2553337 0.82 HMGCR (0.67) HMGCRPTPN7SELPRECQLTDP1
SCHEMBL4225757 0.82 HMGCR (0.72) HMGCRPTPN7SELPRECQLTDP1

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-7399977-B2 Apparatus and method for determining radiation dose UNIVERSITY HEALTH NETWORK (CA) 2008-07-15 US disclosed
US-20060017009-A1 Apparatus and method for determining radiation dose UNIVERSITY HEALTH NETWORK (CA) 2006-01-26 US disclosed