SCHEMBL8214261

SCHEMBL8214261

CC(C)(C)OC(=O)N1C[C@@H](SC(c2ccccc2)(c2ccccc2)c2ccccc2)C[C@@H]1CCO

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SRC P12931 8/20 0.39
ABCB1 P08183 1/20 0.38
TACR1 P25103 3/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NR1H2 P55055 2/20 0.36
NR1H3 Q13133 2/20 0.36
RORC P51449 1/20 0.36
HSD11B1 P28845 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
HCRTR2 O43614 1/20 0.35

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
SCHEMBL8214205 1.00 SRC (0.39) SRCABCB1TACR1MEN1KMT2A
SCHEMBL8789793 0.91 SRC (0.46) SRCABCB1TACR1MEN1KMT2A
SCHEMBL5404919 0.91 SRC (0.46) SRCABCB1TACR1MEN1KMT2A
SCHEMBL5409336 0.88 SRC (0.40) SRCABCB1TACR1NR1H2NR1H3
SCHEMBL5406636 0.84 HCRTR2 (0.41) SRCNR1H2NR1H3HSD11B1JAK2
SCHEMBL8201900 0.82 GPR119 (0.39) ABCB1TACR1MEN1KMT2ARORC
SCHEMBL9034741 0.82 GPR119 (0.39) ABCB1TACR1MEN1KMT2ARORC
SCHEMBL8211858 0.82 GPR119 (0.39) ABCB1TACR1MEN1KMT2ARORC
SCHEMBL8390205 0.82 GPR119 (0.39) ABCB1TACR1MEN1KMT2ARORC
SCHEMBL5492058 0.81 HTRA1 (0.41) ABCB1KMT2ANR1H2NR1H3RORC

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