SCHEMBL9810450

SCHEMBL9810450

CCCCCCCOC(=O)C1CCC(O)(c2ccc(CC)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.42
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 2/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
S1PR5 Q9H228 4/20 0.38
MMP2 P08253 1/20 0.38
S1PR1 P21453 4/20 0.37
S1PR3 Q99500 3/20 0.37

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
SCHEMBL9810335 1.00 PPARG (0.42) PPARGLMNATSHRALDH1A1L3MBTL1
SCHEMBL9810345 1.00 PPARG (0.42) PPARGLMNATSHRALDH1A1L3MBTL1
SCHEMBL9810267 0.99 LMNA (0.40) PPARGLMNATSHRALDH1A1L3MBTL1
SCHEMBL9810508 0.95 L3MBTL1 (0.41) PPARGLMNATSHRALDH1A1L3MBTL1
SCHEMBL9810279 0.92 OPRL1 (0.43) PPARGS1PR5S1PR1S1PR3
SCHEMBL9810336 0.92 THRA (0.43) PPARGS1PR5S1PR1S1PR3
SCHEMBL9810387 0.92 THRA (0.43) PPARGS1PR5S1PR1S1PR3
SCHEMBL9810321 0.92 PPARG (0.41) PPARGLMNATSHRALDH1A1S1PR5
SCHEMBL9810485 0.92 THRA (0.43) PPARGS1PR5S1PR1S1PR3
SCHEMBL9810477 0.92 THRA (0.43) PPARGS1PR5S1PR1S1PR3

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-5068389-A TERTIARY ALCOHOLS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-11-26 US disclosed