SCHEMBL11277022

SCHEMBL11277022

COC(=O)CCC(=O)SCC(=O)NC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
LMNA P02545 4/20 0.36
KDM4E B2RXH2 3/20 0.36
RECQL P46063 1/20 0.36
ALDH1A1 P00352 5/20 0.35
KMT2A Q03164 5/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
MEN1 O00255 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CYP1A2 P05177 1/20 0.33
ATM Q13315 1/20 0.33
POLB P06746 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
SCHEMBL11267205 0.79 MAPT (0.43) LMNAKDM4EALDH1A1KMT2AMAPT
SCHEMBL11275966 0.78 TSHR (0.35) TSHRKDM4EKMT2AMAPT
SCHEMBL11276917 0.78 MAPT (0.50) LMNAKDM4EALDH1A1KMT2AMAPT
SCHEMBL11259630 0.76 TSHR (0.48) TSHRLMNAKDM4EALDH1A1KMT2A
SCHEMBL11278421 0.75 KMT2A (0.51) TSHRKDM4EALDH1A1KMT2AMAPT
SCHEMBL11265815 0.75 KMT2A (0.51) TSHRKDM4EALDH1A1KMT2AMAPT
SCHEMBL11261558 0.75 KMT2A (0.51) TSHRKDM4EALDH1A1KMT2AMAPT
SCHEMBL11257799 0.75 KMT2A (0.38) LMNAKDM4EALDH1A1KMT2AMAPT
SCHEMBL11261713 0.72 CRBN (0.36) TSHRLMNAKDM4EALDH1A1KMT2A
SCHEMBL22804532 0.71 TSHR (0.48) TSHRLMNAKDM4EALDH1A1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4329363-A Substituted mercapto acid amides and their use MERCK & CO., INC. (US) 1982-05-11 US disclosed
US-4216160-A IMMUNOREGULANTS FOR CORRECTING AN INBALANCE OF IMMUNE HOMEOSTASIS MERCK & CO., INC. (US) 1980-08-05 US disclosed
EP-0001989-A1 Substituted mercapto acid amides, process for their preparation, pharmaceutical composition containing same and their use MERCK & CO. INC. (US) 1979-05-30 EP disclosed