SCHEMBL25839537

SCHEMBL25839537

COCC(=O)NCC(=O)NCC(=O)NCCC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
SPR P35270 5/20 0.39
RECQL P46063 1/20 0.37
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
ALDH1A1 P00352 2/20 0.35
FAAH O00519 1/20 0.35
LMNA P02545 1/20 0.35
HDAC1 Q13547 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL24098107 0.81 TSHR (0.50) TSHRSPRKDM4EHPGDFAAH
SCHEMBL15701340 0.80 TSHR (0.40) TSHRSPRRECQLHPGDHSD17B10
SCHEMBL27466983 0.79 TSHR (0.48) TSHRSPRRECQLKDM4EALDH1A1
SCHEMBL22987368 0.79 CA1 (0.38) TSHRRECQLALDH1A1LMNA
SCHEMBL24098148 0.78 FAAH (0.50) TSHRSPRKDM4EALDH1A1FAAH
SCHEMBL22340817 0.78 FAAH (0.50) TSHRSPRKDM4EALDH1A1FAAH
SCHEMBL24098147 0.78 FAAH (0.50) TSHRSPRKDM4EALDH1A1FAAH
SCHEMBL2730627 0.77 SPR (0.49) TSHRSPRKDM4EHPGDHSD17B10
SCHEMBL18466189 0.77 PAOX (0.36) RECQLKDM4EALDH1A1LMNA
SCHEMBL27253736 0.76 TSHR (0.42) TSHRSPRRECQLKDM4EHPGD

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-2023137026-A1 CAMPTOTHECIN ANALOGS CONJUGATED TO A GLUTAMINE RESIDUE IN A PROTEIN, AND THEIR USE REGENERON PHARMACEUTICALS, INC. (US) 2023-07-20 WO disclosed