SCHEMBL27511468

SCHEMBL27511468

COC(=O)CCN(C)C(=O)CCCC[C@H]1CCSS1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.58
ACHE P22303 4/20 0.54
HSD17B10 Q99714 2/20 0.54
KMT2A Q03164 2/20 0.54
TARDBP Q13148 2/20 0.54
CYP2C9 P11712 1/20 0.54
MEN1 O00255 1/20 0.54
NR1I2 O75469 1/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
POLB P06746 1/20 0.54
THRB P10828 1/20 0.54
TSHR P16473 1/20 0.54
APEX1 P27695 1/20 0.54
RECQL P46063 1/20 0.54
BLM P54132 1/20 0.54
PMP22 Q01453 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
SAE1 Q9UBE0 1/20 0.54
UBA2 Q9UBT2 1/20 0.54

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
SCHEMBL7843232 0.94 PPARG (0.60) PPARGACHEHSD17B10KMT2ATARDBP
SCHEMBL22060875 0.88 ACHE (0.55) PPARGACHEHSD17B10KMT2ATARDBP
SCHEMBL9910052 0.86 HSD17B10 (0.66) PPARGACHEHSD17B10KMT2ATARDBP
SCHEMBL12972713 0.86 HSD17B10 (0.66) PPARGACHEHSD17B10KMT2ATARDBP
SCHEMBL12972711 0.84 HSD17B10 (0.59) PPARGACHEHSD17B10KMT2ATARDBP
SCHEMBL13377696 0.84 HSD17B10 (0.59) PPARGACHEHSD17B10KMT2ATARDBP
SCHEMBL6037642 0.84 HSD17B10 (0.59) PPARGACHEHSD17B10KMT2ATARDBP
SCHEMBL13377695 0.83 HSD17B10 (0.57) PPARGACHEHSD17B10KMT2ATARDBP
SCHEMBL14696741 0.80 CA12 (0.55) PPARGACHEHSD17B10KMT2ATARDBP
SCHEMBL27509997 0.80 HSD17B10 (0.54) PPARGACHEHSD17B10KMT2ATARDBP

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
CN-1208035-A Dithiolan derivatives, their preparation and their therapeutic effect SANKYO CO (JP) 1999-02-17 CN disclosed