SCHEMBL27690656

SCHEMBL27690656

CCOC(=O)C(F)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 1/20 0.46
MMP8 P22894 2/20 0.44
ALDH1A1 P00352 2/20 0.43
TSHR P16473 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 3/20 0.42
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL12264169 0.82 MEN1 (0.53) PIN1MEN1KMT2ANPC1MMP8
SCHEMBL313488 0.82 PIN1 (0.44) PIN1MEN1KMT2ANPC1MMP8
SCHEMBL27540519 0.81 PIN1 (0.49) PIN1MEN1KMT2ANPC1MMP8
SCHEMBL28210809 0.78 MEN1 (0.49) PIN1MEN1KMT2ANPC1MMP8
SCHEMBL7682222 0.76 KCNN4 (0.45) PIN1MEN1KMT2ANPC1MMP8
SCHEMBL28882448 0.75 PIN1 (0.49) PIN1MEN1KMT2ANPC1MMP8
SCHEMBL6779283 0.74 PIN1 (0.49) PIN1MEN1KMT2ANPC1MMP8
SCHEMBL7207416 0.74 PIN1 (0.49) PIN1MEN1KMT2ANPC1MMP8
SCHEMBL4290959 0.73 MMP8 (0.56) PIN1MEN1KMT2ANPC1MMP8
SCHEMBL324209 0.73 MMP8 (0.56) PIN1MEN1KMT2ANPC1MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101061128-B Process for preparing diisopropyl ((1- (hydroxymethyl) -cyclopropyl) oxy) methylphosphonate LG LIFE SCIENCES LTD 2010-10-06 CN claimed
CN-101061128-A Process for preparing di-isopropyl ((1(hydroxymethyl)-cyclopropyl)oxy) methylphosphonate LG LIFE SCIENCES LTD (KR) 2007-10-24 CN claimed
CN-101061128-B Process for preparing diisopropyl ((1- (hydroxymethyl) -cyclopropyl) oxy) methylphosphonate LG LIFE SCIENCES LTD 2010-10-06 CN disclosed
CN-101061128-A Process for preparing di-isopropyl ((1(hydroxymethyl)-cyclopropyl)oxy) methylphosphonate LG LIFE SCIENCES LTD (KR) 2007-10-24 CN disclosed