SCHEMBL8214977

SCHEMBL8214977

CC(C)(C)OC(=O)C(=O)[C@@H]1C[C@H](SC(c2ccccc2)(c2ccccc2)c2ccccc2)CN1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSC P53634 3/20 0.34
EPHX2 P34913 1/20 0.33
SSTR4 P31391 1/20 0.33
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
KDM1A O60341 1/20 0.31
MAOB P27338 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
KIF11 P52732 1/20 0.30
GRIK1 P39086 1/20 0.30
GRIA2 P42262 1/20 0.30
RORC P51449 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CHRM3 P20309 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
SCHEMBL8201898 1.00 CTSC (0.34) CTSCEPHX2SSTR4CYP2C19HIF1A
SCHEMBL16555962 0.83 GRIK1 (0.41) CTSCCYP2C19GRIK1GRIA2
SCHEMBL7143064 0.83 GRIK1 (0.41) CTSCCYP2C19GRIK1GRIA2
SCHEMBL7137595 0.78 CTSC (0.33) CTSCEPHX2KIF11CHRM3
SCHEMBL7137589 0.76 CTSC (0.41) CTSCSSTR4KIF11
SCHEMBL7143845 0.74 POLB (0.39) CTSCKMT2A
SCHEMBL7137646 0.70 TLR2 (0.31)
SCHEMBL5405202 0.70 TLR2 (0.31)
SCHEMBL5401320 0.69 KIF11 (0.34) KIF11KMT2A
SCHEMBL5401316 0.69 KIF11 (0.34) KIF11KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1054865-A1 FARNESYL TRANSFERASE INHIBITORS AstraZeneca UK Limited (GB) 2000-11-29 EP disclosed
WO-1999041235-A1 FARNESYL TRANSFERASE INHIBITORS ASTRAZENECA UK LIMITED (GB) 1999-08-19 WO disclosed