SCHEMBL9323729

SCHEMBL9323729

COCCOCOc1ccc(C(=O)[C@H](C)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.49
MAPT P10636 4/20 0.42
MAPK1 P28482 1/20 0.42
ASAH2 Q9NR71 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.39
GAA P10253 1/20 0.39
PLK1 P53350 1/20 0.39
RAB9A P51151 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
ACACB O00763 1/20 0.38

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
SCHEMBL1503531 0.81 PKM (0.56) CTNNB1MAPK1POLBL3MBTL1ALDH1A1
SCHEMBL7186388 0.81 L3MBTL1 (0.62) CTNNB1MAPTNPSR1LMNAPOLB
SCHEMBL8421294 0.80 PARP10 (0.59) CTNNB1MAPTALDH1A1
SCHEMBL1503528 0.80 MAPT (0.69) CTNNB1MAPTLMNAL3MBTL1ALDH1A1
SCHEMBL12691656 0.80 CTNNB1 (0.52) CTNNB1MAPTL3MBTL1GAAPLK1
SCHEMBL9323736 0.79 MAPT (0.41) MAPTMAPK1NPSR1LMNAPOLB
SCHEMBL19337421 0.78 CTNNB1 (0.57) CTNNB1MAPTL3MBTL1GAAPLK1
SCHEMBL18417687 0.78 MAPT (0.49) CTNNB1MAPTMAPK1ASAH2LMNA
SCHEMBL1302689 0.78 GAA (0.56) MAPTMAPK1NPSR1LMNAPOLB
SCHEMBL29404503 0.78 GAA (0.56) MAPTMAPK1NPSR1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0409234-B1 Alpha-hydroxyketone derivatives, liquid crystal compositions containing said derivatives, and liquid crystal devices using said compositions CHISSO CORP (JP) 1994-02-16 EP disclosed
US-5164112-A Optical activity, ferroelectric, short response times CHISSO CORPORATION (JP) 1992-11-17 US disclosed
EP-0409234-A2 Alpha-hydroxyketone derivatives, liquid crystal compositions containing said derivatives, and liquid crystal devices using said compositions Chisso Corporation (JP) 1991-01-23 EP disclosed