SCHEMBL9322780

SCHEMBL9322780

CCCCC#CC(=O)[C@H](C)O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 4/20 0.40
PTPN7 P35236 5/20 0.38
RECQL P46063 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
MCL1 Q07820 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 1/20 0.36
PTGS2 P35354 1/20 0.35
GPR84 Q9NQS5 1/20 0.32

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
SCHEMBL995365 0.85 HMGCR (0.41) HMGCRPTPN7RECQLTDP1KDM4E
SCHEMBL8766284 0.79 PTPN7 (0.47) HMGCRPTPN7RECQLTDP1KDM4E
SCHEMBL31390449 0.78 PTPN7 (0.50) HMGCRPTPN7RECQLTDP1KDM4E
SCHEMBL16594184 0.75 HMGCR (0.47) HMGCRPTPN7RECQLTDP1KDM4E
SCHEMBL588384 0.73 HMGCR (0.39) HMGCRPTPN7RECQLTDP1KDM4E
SCHEMBL3104220 0.73
SCHEMBL996455 0.73
SCHEMBL1088162 0.73
SCHEMBL1088314 0.72 LMNA (0.44) HMGCRPTPN7RECQLTDP1KDM4E
SCHEMBL2972124 0.71

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 5 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
US-5055222-A Enantiomorph for use in liquid crystal display elements CHISSO CORPORATION (JP) 1991-10-08 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-0267758-A2 Alpha-substituted-propionic acid esters Chisso Corporation (JP) 1988-05-18 EP disclosed