SCHEMBL5606954

SCHEMBL5606954

CCCCCCCCCC#CNCCCCCCCCC#CC[NH]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.41
PTPN7 P35236 5/20 0.38
HMGCR P04035 2/20 0.38
RECQL P46063 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
EPHX1 P07099 4/20 0.34
SELP P16109 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
MCL1 Q07820 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.32

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
SCHEMBL5072713 0.98 EPHX2 (0.39) EPHX2PTPN7HMGCRRECQLTDP1
SCHEMBL4619188 0.82 PTPN7 (0.50) EPHX2PTPN7HMGCRRECQLTDP1
SCHEMBL4619824 0.82 PTPN7 (0.50) EPHX2PTPN7HMGCRRECQLTDP1
SCHEMBL4620623 0.82 PTPN7 (0.50) EPHX2PTPN7HMGCRRECQLTDP1
SCHEMBL4621362 0.82 PTPN7 (0.50) EPHX2PTPN7HMGCRRECQLTDP1
SCHEMBL4619899 0.80
SCHEMBL9807775 0.76 DNM1 (0.41) EPHX2PTPN7HMGCREPHX1SELP
SCHEMBL4618521 0.73
SCHEMBL5607915 0.73
SCHEMBL5166359 0.72 TSHR (0.36) EPHX2PTPN7HMGCRSELPALDH1A1

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
EP-1756271-A2 METHODS FOR OBTAINING OPTICALLY ACTIVE EPOXIDES AND VICINAL DIOLS FROM 2,2-DISUBSTITUTED EPOXIDES CSIR (ZA) 2007-02-28 EP disclosed
WO-2005100587-A2 METHODS FOR OBTAINING OPTICALLY ACTIVE EPOXIDES AND VICINAL DIOLS FROM 2,2-DISUBSTITUTED EPOXIDES CSIR (ZA) 2005-10-27 WO disclosed