SCHEMBL2888407

SCHEMBL2888407

C=CC1CCC(C(O)CCC(=O)OCC)CC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 5/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 2/20 0.36
KMT2A Q03164 3/20 0.35
POLB P06746 2/20 0.35
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
SMYD3 Q9H7B4 1/20 0.33
USP2 O75604 1/20 0.33
ALOX15 P16050 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
UGT2B7 P16662 2/20 0.32
GAA P10253 2/20 0.32
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 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
SCHEMBL2890304 0.79 TSHR (0.39) TSHRKMT2ALMNACYP1A2
SCHEMBL9760089 0.76 L3MBTL1 (0.46) L3MBTL1ALDH1A1TSHRKMT2APOLB
SCHEMBL2888704 0.75 MAPT (0.42) L3MBTL1ALDH1A1KMT2APOLBLMNA
SCHEMBL3478095 0.72 ALDH1A1 (0.39) L3MBTL1ALDH1A1NPSR1TSHRKMT2A
SCHEMBL15800133 0.72 CYP1A2 (0.41) L3MBTL1ALDH1A1TSHRKMT2APOLB
SCHEMBL7894571 0.72 MAPT (0.47) ALDH1A1TSHRKMT2AALOX15
SCHEMBL13044831 0.72 MAPT (0.47) ALDH1A1TSHRKMT2AALOX15
SCHEMBL10990788 0.71 UGT2B7 (0.45) L3MBTL1ALDH1A1TSHRKMT2APOLB
SCHEMBL3804106 0.70 TSHR (0.63) L3MBTL1ALDH1A1TSHRPOLBLMNA
SCHEMBL27649923 0.70 CYP1A2 (0.44) L3MBTL1ALDH1A1TSHRKMT2APOLB

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-2128149-B1 Tetrahydrofuran compound, liquid crystal composition and liquid crystal display device containing the liquid crystal composition JNC CORP (JP) 2013-07-24 EP disclosed
EP-1798228-B1 TETRAHYDROPYRAN COMPOUNDS, LIQUID CRYSTAL COMPOSITIONS, AND LIQUID CRYSTAL DISPLAYS CONTAINING THE COMPOSITIONS JNC CORP (JP) 2012-11-14 EP disclosed
US-7842357-B2 Tetrahydropyran compound, liquid crystal, composition and liquid crystal display device containing the liquid crystal composition CHISSO CORPORATION (JP) 2010-11-30 US disclosed
EP-2128149-A1 Tetrahydrofuran compound, liquid crystal composition and liquid crystal display device containing the liquid crystal composition Chisso Corporation (JP) 2009-12-02 EP disclosed
EP-1798228-A1 TETRAHYDROPYRAN COMPOUNDS, LIQUID CRYSTAL COMPOSITIONS, AND LIQUID CRYSTAL DISPLAYS CONTAINING THE COMPOSITIONS CHISSO CORPORATION (JP) 2007-06-20 EP disclosed
US-20060071194-A1 Tetrahydrofuran compound, liquid crystal, composition and liquid crystal display device containing the liquid crystal composition JNC PETROCHEMICAL CORPORATION (JP) 2006-04-06 US disclosed