SCHEMBL19001405

SCHEMBL19001405

C=CC(=O)OCCOC(=O)Nc1ccc(C)c(NC(=O)OC(C)(C)CCCCOC(C)(C)C(=O)Nc2cc(NC(=O)OCCOC(=O)C=C)ccc2C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
NPC1 O15118 2/20 0.36
HPGD P15428 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NLRP3 Q96P20 1/20 0.34
KDM4E B2RXH2 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL21917425 0.92 ALDH1A1 (0.39) ALDH1A1LMNAMAPK1NPC1HPGD
SCHEMBL26574753 0.82 RAB9A (0.51) ALDH1A1LMNAMAPK1NPC1HPGD
SCHEMBL3189251 0.81 ALDH1A1 (0.54) ALDH1A1LMNAMAPK1NPC1HPGD
SCHEMBL26657149 0.77 ALDH1A1 (0.49) ALDH1A1LMNAMAPK1NPC1HPGD
SCHEMBL14565938 0.76 ALDH1A1 (0.47) ALDH1A1LMNAMAPK1NPC1HPGD
SCHEMBL14085643 0.75 ALDH1A1 (0.48) ALDH1A1LMNAMAPK1NPC1HPGD
SCHEMBL11509308 0.75 NLRP3 (0.53) ALDH1A1LMNAMAPK1NPC1HPGD
SCHEMBL22210634 0.75 ALDH1A1 (0.33) ALDH1A1LMNAMAPK1NPC1RAB9A
SCHEMBL24258462 0.74 LMNA (0.42) ALDH1A1LMNAMAPK1NPC1HPGD
SCHEMBL26574749 0.73 ALDH1A1 (0.42) ALDH1A1LMNAMAPK1NPC1HPGD

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
WO-2017103655-A1 OPTICAL FIBRE WITH ENHANCED HIGH TEMPERATURE RESISTANCE PRYSMIAN S.P.A. (IT) 2017-06-22 WO disclosed