SCHEMBL8747427

SCHEMBL8747427

CCCC(O)CCC(C)OC(=O)c1[c]cccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.36
TSHR P16473 4/20 0.34
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
KLK7 P49862 1/20 0.32
KLK5 Q9Y337 1/20 0.32
CTSK P43235 2/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSH P09668 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MBTD1 Q05BQ5 1/20 0.32
L3MBTL3 Q96JM7 1/20 0.32
SCN1A P35498 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN3A Q9NY46 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL8747429 1.00 ALDH1A1 (0.40) ALDH1A1KDM4ETSHRKMT2APOLB
SCHEMBL8747440 0.87 PRKCA (0.40) ALDH1A1KDM4ETSHRKMT2APOLB
SCHEMBL8747437 0.87 PRKCA (0.40) ALDH1A1KDM4ETSHRKMT2APOLB
SCHEMBL8747246 0.84 GABRA1 (0.34) KDM4ETSHR
SCHEMBL6953946 0.82 MAPT (0.41) ALDH1A1KDM4ETSHRKMT2APOLB
SCHEMBL8747358 0.80 ALDH1A1 (0.35) ALDH1A1KDM4ETSHRKMT2APOLB
SCHEMBL11469429 0.79 PRKCA (0.48) ALDH1A1KDM4EKMT2APOLBMEN1
SCHEMBL10700173 0.79 TSHR (0.37) ALDH1A1TSHRKMT2APOLBSCN1A
SCHEMBL8747431 0.78 TSHR (0.39) ALDH1A1TSHRKMT2APOLBMEN1
SCHEMBL130469 0.75 PDCD1 (0.47) ALDH1A1KDM4ETSHRKMT2AMEN1

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-0585032-B1 Anti-ferroelectric liquid crystal and liquid crystal display device MITSUBISHI GAS CHEMICAL CO (JP) 1997-03-05 EP disclosed
US-5340498-A High speed response MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1994-08-23 US disclosed
EP-0585032-A1 Anti-ferroelectric liquid crystal and liquid crystal display device MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1994-03-02 EP disclosed