SCHEMBL9323736

SCHEMBL9323736

COC(C)OCOc1ccc(C(=O)[C@H](C)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.39
GAA P10253 2/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 2/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 1/20 0.37
PAX8 Q06710 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HPGD P15428 1/20 0.36
PARP10 Q53GL7 1/20 0.36
CYP1A2 P05177 1/20 0.36
TAS1R3 Q7RTX0 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
SCHEMBL9267292 0.84 L3MBTL1 (0.54) MAPTLMNANPSR1POLBGAA
SCHEMBL9323729 0.79 CTNNB1 (0.49) MAPTLMNANPSR1POLBMAPK1
SCHEMBL28799901 0.77 PARP10 (0.59) LMNANPSR1GAAALDH1A1RAB9A
SCHEMBL9146933 0.77 LTA4H (0.44) LMNACYP1A2
SCHEMBL10708651 0.75 ELANE (0.49) MAPTLMNAPOLBGAATSHR
SCHEMBL2633871 0.75 CES2 (0.59) MAPTLMNANPSR1MAPK1ALDH1A1
SCHEMBL29404503 0.74 GAA (0.56) MAPTLMNANPSR1POLBMAPK1
SCHEMBL9553897 0.74 MAPT (0.45) MAPTLMNANPSR1POLBMAPK1
SCHEMBL1302689 0.74 GAA (0.56) MAPTLMNANPSR1POLBMAPK1
SCHEMBL28456471 0.74 MEN1 (0.39) ALDH1A1RAB9AMEN1KMT2AL3MBTL1

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