SCHEMBL6464797

SCHEMBL6464797

CCCC#CCCCCCCCCCCC(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
PTPN7 P35236 5/20 0.39
HMGCR P04035 4/20 0.39
RAB9A P51151 1/20 0.37
RECQL P46063 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
OPRM1 P35372 1/20 0.33
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

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
SCHEMBL9205981 0.93 PTPN7 (0.47) LMNAPTPN7HMGCRRECQLTDP1
SCHEMBL9211499 0.93 PTPN7 (0.47) LMNAPTPN7HMGCRRECQLTDP1
SCHEMBL9272457 0.93 PTPN7 (0.42) LMNAPTPN7HMGCRRAB9ARECQL
SCHEMBL4212770 0.93 PTPN7 (0.47) LMNAPTPN7HMGCRRECQLTDP1
SCHEMBL9215497 0.93 PTPN7 (0.42) LMNAPTPN7HMGCRRAB9ARECQL
SCHEMBL27141803 0.93 PTPN7 (0.47) LMNAPTPN7HMGCRRECQLTDP1
SCHEMBL9205432 0.93 PTPN7 (0.47) LMNAPTPN7HMGCRRECQLTDP1
SCHEMBL9207778 0.93 PTPN7 (0.47) LMNAPTPN7HMGCRRECQLTDP1
SCHEMBL9202775 0.93 PTPN7 (0.42) LMNAPTPN7HMGCRRAB9ARECQL
SCHEMBL14720134 0.92 LMNA (0.48) LMNAPTPN7HMGCRRAB9ARECQL

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
EP-1194396-B1 SELECTED CYCLOHEXANE-1,3- AND 1,4-DICARBOXYLIC ACID ESTERS BASF AG (DE) 2005-11-09 EP claimed