SCHEMBL27484252

SCHEMBL27484252

CCOC(=O)C(C(=O)c1c(C)cccc1C)c1ccccc1.O=P

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.48
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
KMT2A Q03164 1/20 0.44
TSHR P16473 2/20 0.43
PIN1 Q13526 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
GAA P10253 1/20 0.39
SLC6A9 P48067 1/20 0.39

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
SCHEMBL7174643 0.94 MMP8 (0.56) MMP8L3MBTL1CA12CA1CA2
SCHEMBL27499665 0.91 MMP8 (0.50) MMP8L3MBTL1CA12CA1CA2
SCHEMBL27520010 0.90 MMP8 (0.46) MMP8L3MBTL1SMN1; SMN2
SCHEMBL27485655 0.90 MMP8 (0.55) MMP8L3MBTL1CA12CA1CA2
SCHEMBL27484988 0.90 L3MBTL1 (0.49) MMP8L3MBTL1MEN1NPC1KMT2A
SCHEMBL27499980 0.88 TSHR (0.46) MMP8L3MBTL1NPC1TSHRSMN1; SMN2
SCHEMBL27500265 0.87 NPC1 (0.45) MMP8L3MBTL1MEN1NPC1KMT2A
SCHEMBL27485279 0.87 ALDH1A1 (0.45) MMP8L3MBTL1MEN1KMT2ATSHR
SCHEMBL27486010 0.87 TSHR (0.47) MMP8L3MBTL1NPC1TSHRSMN1; SMN2
SCHEMBL7183564 0.86 MMP8 (0.54) MMP8L3MBTL1CA12CA1CA2

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
CN-1200943-C Organometallic acyl-aryl phosphine CIBA SC HOLDING AG (CH) 2005-05-11 CN disclosed
CN-1308081-A Organometallic acyl-aryl phosphine CIBA SC HOLDING AG (CH) 2001-08-15 CN disclosed