SCHEMBL11277979

SCHEMBL11277979

COC(=O)CC(=O)CSCC(=O)NC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.40
GAA P10253 2/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
TSHR P16473 3/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 1/20 0.32
POLA1 P09884 1/20 0.32
PKM P14618 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
SCHEMBL11269817 0.82 CRBN (0.39) HSD17B10TSHRKDM4EALDH1A1HPGD
SCHEMBL11469819 0.74 GAA (0.42) HSD17B10GAAMGAMSIMGAM2
SCHEMBL11568230 0.72 TSHR (0.32) HSD17B10TSHRALDH1A1HPGD
SCHEMBL11459053 0.72 GAA (0.41) HSD17B10GAAMGAMSIMGAM2
SCHEMBL6666970 0.71 CES2 (0.48) HSD17B10GAAMGAMSIMGAM2
SCHEMBL11277022 0.69 TSHR (0.46) HSD17B10GAAMGAMSIMGAM2
SCHEMBL9824029 0.69 ALDH1A1 (0.39) HSD17B10GAAMGAMSIMGAM2
SCHEMBL5731252 0.69 MGAM (0.46) HSD17B10GAAMGAMSIMGAM2
SCHEMBL11274787 0.68 CRBN (0.39) TSHRKDM4EALDH1A1
SCHEMBL11264137 0.68

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
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