SCHEMBL6016774

SCHEMBL6016774

CCCCOC12CCCC1CCC2C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 3/20 0.36
NR5A2 O00482 2/20 0.36
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
S1PR5 Q9H228 2/20 0.31
HCAR2 Q8TDS4 1/20 0.31
PPP5C P53041 1/20 0.30
DPP4 P27487 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
SCHEMBL1089052 0.64 SLC1A2 (0.38) MEN1KMT2A
SCHEMBL8679556 0.63 NR5A1 (0.42) NR5A1NR5A2MEN1KMT2A
SCHEMBL8679558 0.63 NR5A1 (0.42) NR5A1NR5A2MEN1KMT2A
SCHEMBL27216297 0.63 CYP3A4 (0.37) MEN1KMT2AHCAR2DPP4
SCHEMBL12329169 0.61 ARG1 (0.43) MEN1KMT2APPP5C
SCHEMBL9657672 0.61 GRM2 (0.33)
SCHEMBL28434026 0.61 MEN1 (0.45) MEN1KMT2AHCAR2
SCHEMBL29265385 0.59 SMN1; SMN2 (0.38)
Pentane SCHEMBL28925919 0.59 EPHX2 (0.33) MEN1KMT2A
SCHEMBL25473438 0.59 ALDH1A1 (0.41) MEN1KMT2A

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-1615886-A1 [C]-FUSED BICYCLIC PROLINE DERIVATIVES AND THEIR USE FOR TREATING ARTHRITIC CONDITIONS Warner-Lambert Company LLC (US) 2006-01-18 EP disclosed
WO-2004092134-A1 [C]-FUSED BICYCLIC PROLINE DERIVATIVES AND THEIR USE FOR TREATING ARTHRITIC CONDITIONS WARNER-LAMBERT COMPANY LLC (US) 2004-10-28 WO disclosed