SCHEMBL9323325

SCHEMBL9323325

CCCCCOC(C)C=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.42
ADH1B P00325 3/20 0.38
ADH1C P00326 3/20 0.38
ADH1A P07327 3/20 0.38
ADH7 P40394 3/20 0.38
ADH4 P08319 2/20 0.38
EPHX1 P07099 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LPAR1 Q92633 2/20 0.36
LPAR3 Q9UBY5 2/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 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
SCHEMBL24830110 0.98 DNM1 (0.45) DNM1ADH1BADH1CADH1AADH7
SCHEMBL9322467 0.98 DNM1 (0.45) DNM1ADH1BADH1CADH1AADH7
SCHEMBL14820781 0.93
SCHEMBL6931736 0.93
SCHEMBL28414040 0.84 CA1 (0.36) TSHRSMN1; SMN2CA1CA2CA9
SCHEMBL7679680 0.83
SCHEMBL28057878 0.79 DNM1 (0.43) DNM1ADH1BADH1CADH1AADH7
SCHEMBL8129244 0.79 DNM1 (0.43) DNM1ADH1BADH1CADH1AADH7
SCHEMBL8587437 0.79 DNM1 (0.43) DNM1ALDH1A1CNR1CNR2LPAR1
SCHEMBL1378620 0.77 DNM1 (0.42) DNM1ALDH1A1CNR1CNR2TSHR

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 6 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
EP-0103891-B1 PROCESS FOR PRODUCING ALPHA-ACETOXYPROPIONALDEHYDE KURARAY CO., LTD. (JP) 1986-03-26 EP disclosed
US-4102839-A METAL SALT OF A CARBOXYLIC ACID AND A DIKETONE OR KETO-ALDEHYDE RHONE-POULENC INDUSTRIES (FR) 1978-07-25 US disclosed
US-4072709-A HYDROFORMYLATION OF VINYL ACETATE, OXIDATION, HYDROLYSIS, CATALYSIS MONSANTO COMPANY (US) 1978-02-07 US disclosed