SCHEMBL9618435

SCHEMBL9618435

CCCCC#CCCCCCCCCCC#CC(OCC)OCC

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 5/20 0.37
HMGCR P04035 4/20 0.37
TSHR P16473 1/20 0.34
RECQL P46063 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
ALOX12 P18054 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
MCL1 Q07820 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RAB9A P51151 1/20 0.31
EPHX2 P34913 1/20 0.30

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
SCHEMBL27988190 0.94 PTPN7 (0.38) PTPN7HMGCRTSHRRECQLTDP1
SCHEMBL9626661 0.94 PTPN7 (0.38) PTPN7HMGCRTSHRRECQLTDP1
SCHEMBL9626095 0.94 PTPN7 (0.38) PTPN7HMGCRTSHRRECQLTDP1
SCHEMBL9340006 0.94 PTPN7 (0.38) PTPN7HMGCRTSHRRECQLTDP1
SCHEMBL28072019 0.94 PTPN7 (0.38) PTPN7HMGCRTSHRRECQLTDP1
SCHEMBL28878327 0.94 TSHR (0.39) HMGCRTSHR
SCHEMBL7642174 0.92 PTPN7 (0.35) PTPN7HMGCRTSHRRECQLTDP1
SCHEMBL9618430 0.84 HMGCR (0.37) HMGCRALDH1A1
SCHEMBL9618431 0.84 HMGCR (0.37) HMGCRALDH1A1
SCHEMBL16161162 0.82 ALDH1A1 (0.34) TSHRALDH1A1

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
JP-4330032-A None JP disclosed
JP-H04330032-A PRODUCTION OF E,Z-2,13-OCTADECADIENE COMPOUND SHIN ETSU CHEM CO LTD 1992-11-18 JP disclosed