SCHEMBL9196978

SCHEMBL9196978

CCCCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)N3CCC[C@H]3C(=O)OCC(C)C)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.60
NPSR1 Q6W5P4 1/20 0.55
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 2/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
SPHK1 Q9NYA1 8/20 0.45
SPHK2 Q9NRA0 3/20 0.45
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL9200393 0.93 L3MBTL1 (0.58) L3MBTL1NPSR1ALDH1A1NPC1LMNA
SCHEMBL9195030 0.92 L3MBTL1 (0.66) L3MBTL1NPSR1ALDH1A1NPC1LMNA
SCHEMBL9194877 0.92 L3MBTL1 (0.66) L3MBTL1NPSR1ALDH1A1NPC1LMNA
SCHEMBL9193399 0.92 L3MBTL1 (0.66) L3MBTL1NPSR1ALDH1A1NPC1LMNA
SCHEMBL10697648 0.91 L3MBTL1 (0.64) L3MBTL1NPSR1ALDH1A1NPC1LMNA
SCHEMBL10406240 0.90 L3MBTL1 (0.65) L3MBTL1NPSR1ALDH1A1NPC1LMNA
SCHEMBL10406132 0.90 L3MBTL1 (0.68) L3MBTL1NPSR1ALDH1A1NPC1LMNA
SCHEMBL9200790 0.88 L3MBTL1 (0.66) L3MBTL1NPSR1ALDH1A1NPC1LMNA
SCHEMBL10697825 0.88 L3MBTL1 (0.60) L3MBTL1NPSR1ALDH1A1NPC1LMNA
SCHEMBL10406582 0.87 L3MBTL1 (0.57) L3MBTL1NPSR1ALDH1A1NPC1LMNA

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-0275522-B1 Optically active 1-acyl-proline esters and their use as doping agents in liquid-crystal compositions HOECHST AG (DE) 1995-03-29 EP claimed
EP-0275522-A2 Optically active 1-acyl-proline esters and their use as doping agents in liquid-crystal compositions HOECHST AKTIENGESELLSCHAFT (DE) 1988-07-27 EP claimed
EP-0275522-B1 Optically active 1-acyl-proline esters and their use as doping agents in liquid-crystal compositions HOECHST AG (DE) 1995-03-29 EP disclosed
EP-0284008-B1 Use of derivatives of 5-phenyl pyrimidine as components of smectic liquid-crystalline mixtures HOECHST AG (DE) 1993-10-27 EP disclosed
US-4906401-A Use of liquid-crystal 5-phenylpyrimidine derivatives as components of smectic liquid-crystal mixtures HOECHST AKTIENGESELLSCHAFT (DE) 1990-03-06 US disclosed
EP-0284008-A2 Use of derivatives of 5-phenyl pyrimidine as components of smectic liquid-crystalline mixtures HOECHST AKTIENGESELLSCHAFT (DE) 1988-09-28 EP disclosed