SCHEMBL31076172

SCHEMBL31076172

CCC#CCC#CCC#CCCCCC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 5/20 0.57
RECQL P46063 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
KDM4E B2RXH2 1/20 0.57
MEN1 O00255 1/20 0.57
USP2 O75604 1/20 0.57
ALDH1A1 P00352 1/20 0.57
POLB P06746 1/20 0.57
MAPT P10636 1/20 0.57
HPGD P15428 1/20 0.57
ALOX12 P18054 1/20 0.57
BLM P54132 1/20 0.57
KMT2A Q03164 1/20 0.57
MCL1 Q07820 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HMGCR P04035 2/20 0.45
EPHX2 P34913 3/20 0.36
TSHR P16473 1/20 0.35
THRB P10828 1/20 0.35
SLC22A1 O15245 2/20 0.35

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
SCHEMBL4369829 1.00 PTPN7 (0.57) PTPN7RECQLTDP1KDM4EMEN1
SCHEMBL55966 0.92
SCHEMBL6467458 0.89 PTPN7 (0.54) PTPN7RECQLTDP1KDM4EMEN1
SCHEMBL161365 0.89 PTPN7 (0.54) PTPN7RECQLTDP1KDM4EMEN1
SCHEMBL4223277 0.89 PTPN7 (0.54) PTPN7RECQLTDP1KDM4EMEN1
SCHEMBL4224620 0.89 PTPN7 (0.54) PTPN7RECQLTDP1KDM4EMEN1
SCHEMBL9015846 0.89 PTPN7 (0.54) PTPN7RECQLTDP1KDM4EMEN1
SCHEMBL55675 0.89 PTPN7 (0.54) PTPN7RECQLTDP1KDM4EMEN1
SCHEMBL6468299 0.89 PTPN7 (0.54) PTPN7RECQLTDP1KDM4EMEN1
SCHEMBL9015963 0.89 PTPN7 (0.54) PTPN7RECQLTDP1KDM4EMEN1

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
WO-2024172932-A1 ENDOCANNABINOID LIGANDS AND RELATED ANALOGS NORTHEASTERN UNIVERSITY (US) 2024-08-22 WO disclosed