SCHEMBL9322467

SCHEMBL9322467

CCCCCCOC(C)C=O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.45
ADH1B P00325 2/20 0.41
ADH1C P00326 2/20 0.41
ADH1A P07327 2/20 0.41
ADH4 P08319 2/20 0.41
ADH7 P40394 2/20 0.41
EPHX1 P07099 1/20 0.41
TSHR P16473 1/20 0.39
LPAR1 Q92633 4/20 0.39
LPAR3 Q9UBY5 4/20 0.39
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
LPAR2 Q9HBW0 1/20 0.38
NAAA Q02083 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
SCHEMBL24830110 1.00 DNM1 (0.45) DNM1ADH1BADH1CADH1AADH4
SCHEMBL9323325 0.98 DNM1 (0.42) DNM1ADH1BADH1CADH1AADH4
SCHEMBL6931736 0.91
SCHEMBL14820781 0.91
SCHEMBL28414040 0.82 CA1 (0.36) TSHRCA1CA2CA9
SCHEMBL7679680 0.81
SCHEMBL8123831 0.80 DNM1 (0.47) DNM1ADH1BADH1CADH1AADH4
SCHEMBL9078137 0.80 DNM1 (0.47) DNM1ADH1BADH1CADH1AADH4
SCHEMBL5073007 0.78 DNM1 (0.45) DNM1TSHRLPAR1LPAR3LPAR2
SCHEMBL10494286 0.78 DNM1 (0.45) DNM1TSHRLPAR1LPAR3LPAR2

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