SCHEMBL10697648

SCHEMBL10697648

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

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.64
ALDH1A1 P00352 4/20 0.55
NPSR1 Q6W5P4 1/20 0.51
NPC1 O15118 2/20 0.50
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
SPHK1 Q9NYA1 6/20 0.48
SPHK2 Q9NRA0 3/20 0.48
HPGD P15428 4/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL9194877 0.95 L3MBTL1 (0.66) L3MBTL1ALDH1A1NPSR1NPC1LMNA
SCHEMBL9193399 0.95 L3MBTL1 (0.66) L3MBTL1ALDH1A1NPSR1NPC1LMNA
SCHEMBL9195030 0.95 L3MBTL1 (0.66) L3MBTL1ALDH1A1NPSR1NPC1LMNA
SCHEMBL10700120 0.94 L3MBTL1 (0.72) L3MBTL1ALDH1A1NPSR1SMN1; SMN2SPHK1
SCHEMBL10406132 0.93 L3MBTL1 (0.68) L3MBTL1ALDH1A1NPSR1NPC1LMNA
SCHEMBL9200790 0.91 L3MBTL1 (0.66) L3MBTL1ALDH1A1NPSR1NPC1LMNA
SCHEMBL9196978 0.91 L3MBTL1 (0.60) L3MBTL1ALDH1A1NPSR1NPC1LMNA
SCHEMBL10406582 0.90 L3MBTL1 (0.57) L3MBTL1ALDH1A1NPSR1NPC1LMNA
SCHEMBL10697199 0.90 L3MBTL1 (0.57) L3MBTL1ALDH1A1NPSR1NPC1LMNA
SCHEMBL9200393 0.89 L3MBTL1 (0.58) L3MBTL1ALDH1A1NPSR1NPC1LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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