SCHEMBL9323316

SCHEMBL9323316

CCCCCOC(C)C(=O)C(C)OCCCCC

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.47
NAAA Q02083 1/20 0.43
CES2 O00748 2/20 0.42
LMNA P02545 2/20 0.41
EPHX1 P07099 1/20 0.41
LPAR1 Q92633 2/20 0.40
LPAR3 Q9UBY5 2/20 0.40
PLA2G2C Q5R387 1/20 0.40
TSHR P16473 3/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL9322459 0.98 DNM1 (0.50) DNM1NAAACES2LMNAEPHX1
SCHEMBL9323640 0.93 ALDH1A1 (0.44) DNM1LMNATSHRTP53
SCHEMBL8639866 0.84 DNM1 (0.50) DNM1NAAACES2LMNAEPHX1
SCHEMBL8665961 0.84 DNM1 (0.45) DNM1NAAACES2TSHRTP53
SCHEMBL3799107 0.84 DNM1 (0.45) DNM1NAAACES2TSHRTP53
SCHEMBL12646305 0.83 GPR84 (0.47) DNM1NAAACES2LPAR1LPAR3
SCHEMBL7784786 0.83 DNM1 (0.48) DNM1NAAACES2TSHRTP53
SCHEMBL6580840 0.83 DNM1 (0.48) DNM1NAAACES2TSHRTP53
SCHEMBL9689014 0.83 DNM1 (0.48) DNM1NAAACES2TSHRTP53
SCHEMBL9508153 0.83 DNM1 (0.48) DNM1NAAACES2TSHRTP53

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