SCHEMBL7412656

SCHEMBL7412656

CC(C)(C)OC(=O)C(CCOCc1ccccc1)CC1(OC=O)CCCC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.39
PPARA Q07869 2/20 0.39
CTSL P07711 3/20 0.36
CTSB P07858 3/20 0.36
CTSK P43235 3/20 0.36
CYP2C19 P33261 1/20 0.35
PPARG P37231 1/20 0.35
LTA4H P09960 1/20 0.35
CTSS P25774 1/20 0.35
SYK P43405 1/20 0.34
MMP3 P08254 2/20 0.34
MMP9 P14780 2/20 0.34
MMP8 P22894 2/20 0.34
MMP1 P03956 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KLK7 P49862 1/20 0.34
KLK5 Q9Y337 1/20 0.34

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
SCHEMBL7412653 0.84 L3MBTL1 (0.40) L3MBTL1PPARACYP2C19PPARGLTA4H
SCHEMBL9363241 0.84
SCHEMBL7411616 0.83 L3MBTL1 (0.37) L3MBTL1PPARACTSLCYP2C19PPARG
SCHEMBL7364030 0.82 SYK (0.48) CTSLCTSBCTSKCTSSSYK
SCHEMBL5702727 0.81 MME (0.33)
SCHEMBL9753834 0.81 MME (0.40) CTSLCTSBCTSKCYP2C19CTSS
SCHEMBL9753806 0.80 AKT1 (0.38) CTSLCTSBCTSKCTSS
SCHEMBL7303613 0.80 AKT1 (0.38) CTSLCTSBCTSKCTSS
Hydrochloric Acid SCHEMBL9753576 0.80 AKT1 (0.37) CTSLCTSBCTSKCTSS
SCHEMBL9337020 0.78 CTSL (0.43) CTSLCTSBCTSK

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-5854275-A Cyclic imide derivatives PFIZER INC. (US) 1998-12-29 US disclosed