SCHEMBL8952801

SCHEMBL8952801

CC(C)c1nc2c(c(-c3ccc(F)cc3)c1C#CCO[PH](=O)CC(CC(=O)O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CCc1ccccc1-2

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 1/20 0.32
KDM4E B2RXH2 2/20 0.31
LMNA P02545 2/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX12 P18054 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GLA P06280 1/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL8952794 1.00 SQOR (0.32) SQORKDM4ELMNAALDH1A1ALOX12
SCHEMBL8953142 0.94 SQOR (0.39) SQOR
SCHEMBL8953147 0.94 SQOR (0.39) SQOR
SCHEMBL8953026 0.88 HMGCR (0.31)
SCHEMBL8953017 0.88 HMGCR (0.31)
SCHEMBL8952912 0.88 FABP4 (0.32)
SCHEMBL8952904 0.88 FABP4 (0.32)
SCHEMBL8953059 0.87 SQOR (0.36) SQORKDM4ELMNAALDH1A1ALOX12
SCHEMBL8953066 0.87 SQOR (0.36) SQORKDM4ELMNAALDH1A1ALOX12
SCHEMBL8952949 0.87 GCGR (0.32)

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-5506219-A ANTICHOLESTEROL AND ANTILIPEMIC AGENTS E. R. SQUIBB & SONS, INC. (US) 1996-04-09 US disclosed