SCHEMBL8775381

SCHEMBL8775381

CCCCCC#CCC#CCBr

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 5/20 0.53
RECQL P46063 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
USP2 O75604 1/20 0.53
ALDH1A1 P00352 1/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.53
ALOX12 P18054 1/20 0.53
BLM P54132 1/20 0.53
KMT2A Q03164 1/20 0.53
MCL1 Q07820 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HMGCR P04035 3/20 0.42
EPHX2 P34913 4/20 0.34
KCNH2 Q12809 1/20 0.32
TSHR P16473 1/20 0.32
THRB P10828 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
SCHEMBL7134875 1.00 PTPN7 (0.53) PTPN7RECQLTDP1KDM4EMEN1
SCHEMBL9467624 1.00 PTPN7 (0.53) PTPN7RECQLTDP1KDM4EMEN1
SCHEMBL11526514 0.98 RECQL (0.55) PTPN7RECQLTDP1KDM4EMEN1
SCHEMBL9421472 0.98 RECQL (0.55) PTPN7RECQLTDP1KDM4EMEN1
SCHEMBL9467941 0.98 RECQL (0.55) PTPN7RECQLTDP1KDM4EMEN1
SCHEMBL11529237 0.93 PTPN7 (0.45) PTPN7RECQLTDP1KDM4EMEN1
SCHEMBL1873508 0.93
SCHEMBL15469170 0.93
SCHEMBL9496390 0.90 PTPN7 (0.50) PTPN7RECQLTDP1KDM4EMEN1
SCHEMBL7135975 0.90 PTPN7 (0.50) 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 7 patents. 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
EP-0804430-A1 SYNTHESIS OF OPTICALLY PURE 4-ALKENYL- OR 4-ALKANYL-2-HYDROXYTETRONIC ACIDS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1997-11-05 EP disclosed
US-5656662-A TREATING OR PREVENTING ATHEROSCLEROTIC DISORDERS, INHIBITING INFLAMMATORY CYTOKINES THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1997-08-12 US disclosed
US-5504107-A ANTICOAGULANTS, PREVENTING ATHEROSCLEROSIS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1996-04-02 US disclosed
WO-1995032194-A1 SYNTHESIS OF OPTICALLY PURE 4-ALKENYL- OR 4-ALKANYL-2-HYDROXYTETRONIC ACIDS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1995-11-30 WO disclosed
US-3953499-A 8,12-Dialkyl-PGE, and PGF1.sub.α THE UPJOHN COMPANY (US) 1976-04-27 US disclosed
US-3940425-A Process for the production of polyunsaturated compounds BAYER AKTIENGESELLSCHAFT (DT) 1976-02-24 US disclosed