SCHEMBL6465519

SCHEMBL6465519

C#CCCCC(C#CCCCCC)CC#CCCCCC

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 4/20 0.33
HMGCR P04035 2/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
RECQL P46063 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
ALOX12 P18054 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
MCL1 Q07820 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL16240006 0.95 HMGCR (0.35) PTPN7HMGCRKDM4EALDH1A1HPGD
SCHEMBL8649300 0.83 HMGCR (0.38) PTPN7HMGCRRECQLTDP1
SCHEMBL12095321 0.76 HMGCR (0.32) PTPN7HMGCRKDM4EALDH1A1HPGD
SCHEMBL7554246 0.75 USP2 (0.30) HMGCRUSP2SMN1; SMN2
SCHEMBL28334123 0.75 PTPN7 (0.50) PTPN7HMGCRKDM4EALDH1A1HPGD
SCHEMBL7122689 0.74 DNM1 (0.42) PTPN7HMGCRRECQLTDP1
SCHEMBL10512238 0.72 PTPN7 (0.34) PTPN7HMGCRKDM4EALDH1A1HPGD
SCHEMBL5142033 0.71 PTPN7 (0.45) PTPN7HMGCRKDM4EALDH1A1HPGD
SCHEMBL61022 0.71 HMGCR (0.37) PTPN7HMGCRKDM4EALDH1A1HPGD
SCHEMBL60205 0.71 HMGCR (0.37) PTPN7HMGCRKDM4EALDH1A1HPGD

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-1507528-A2 METHODS FOR USING JNK INHIBITORS FOR TREATING OR PREVENTING DISEASE-RELATED WASTING Signal Pharmaceuticals, Inc. (US) 2005-02-23 EP disclosed
WO-2003099221-A2 METHODS FOR USING JNK INHIBITORS FOR TREATING OR PREVENTING DISEASE-RELATED WASTING SIGNAL PHARMACEUTICALS, INC. (US) 2003-12-04 WO disclosed