SCHEMBL9869804

SCHEMBL9869804

COC(=O)CCC(S)CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
SLC1A1 P43005 1/20 0.43
HSD17B10 Q99714 2/20 0.38
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 2/20 0.35
CA12 O43570 2/20 0.35
CA14 Q9ULX7 2/20 0.35
KDM4E B2RXH2 1/20 0.35
FOLH1 Q04609 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
ANPEP P15144 1/20 0.33
ENPEP Q07075 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL8399384 0.88 TSHR (0.50) TSHRSLC1A1HSD17B10KMT2AMEN1
SCHEMBL8462380 0.78 FOLH1 (0.54) SLC1A1LMNAFOLH1ANPEPENPEP
SCHEMBL5749928 0.78 TSHR (0.48) TSHRSLC1A1KMT2AMEN1LMNA
SCHEMBL3872540 0.78 TSHR (0.48) TSHRSLC1A1KMT2AMEN1LMNA
SCHEMBL10929135 0.76
SCHEMBL8472489 0.76 FOLH1 (0.63) TSHRSLC1A1FOLH1
SCHEMBL27910318 0.75 FOLH1 (0.58) TSHRSLC1A1HSD17B10KMT2AMEN1
SCHEMBL2865042 0.74
SCHEMBL21164254 0.73 SLC1A1 (0.45) TSHRSLC1A1HSD17B10KMT2AMEN1
SCHEMBL6667904 0.73 SLC22A6 (0.43) TSHRHSD17B10KMT2AMEN1LMNA

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
US-5015656-A Antidepressants, anxiolytic compounds, central nervous system active compounds for psychotic conditions, aminoalkylcarboxami de derivatives of thiophene LILLY S.A. (ES) 1991-05-14 US disclosed