SCHEMBL18554129

SCHEMBL18554129

CCOC(=O)CCCCCOc1ccc(C=O)c([N+](=O)[O-])c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.48
TRPV1 Q8NER1 1/20 0.41
ALDH1A1 P00352 9/20 0.39
MAPT P10636 7/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 5/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
HPGD P15428 3/20 0.38
NPC1 O15118 2/20 0.38
MAPK1 P28482 2/20 0.38
RAB9A P51151 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
S1PR4 O95977 1/20 0.38
ITGA4 P13612 1/20 0.38
S1PR1 P21453 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TLR9 Q9NR96 1/20 0.38
HTT P42858 3/20 0.38
KMT2A Q03164 3/20 0.38

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
SCHEMBL7306602 0.84 TNF (0.38) TNFALDH1A1MAPTL3MBTL1LMNA
SCHEMBL7320513 0.84 ALDH1A1 (0.47) ALDH1A1MAPTL3MBTL1LMNASMN1; SMN2
SCHEMBL7312705 0.83 TNF (0.39) TNFALDH1A1MAPTL3MBTL1LMNA
SCHEMBL7313345 0.83 ALDH1A1 (0.48) TNFALDH1A1MAPTL3MBTL1LMNA
SCHEMBL10958150 0.81 MEN1 (0.46) ALDH1A1MAPTL3MBTL1LMNASMN1; SMN2
SCHEMBL7315249 0.80 TNF (0.39) TNFALDH1A1MAPTL3MBTL1LMNA
SCHEMBL7313402 0.80 TNF (0.39) TNFALDH1A1MAPTL3MBTL1LMNA
SCHEMBL7310260 0.80 TNF (0.39) TNFALDH1A1MAPTL3MBTL1LMNA
SCHEMBL4314516 0.80 MEN1 (0.43) ALDH1A1MAPTL3MBTL1LMNASMN1; SMN2
SCHEMBL7319321 0.79 MAPT (0.49) TNFALDH1A1MAPTL3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3337795-A1 PIPERIDINOBENZODIAZEPINE COMPOUNDS WITH ANTI PROLIFERATIVE ACTIVITY Femtogenix Limited (GB) 2018-06-27 EP disclosed
WO-2017032983-A1 PIPERIDINOBENZODIAZEPINE COMPOUNDS WITH ANTI PROLIFERATIVE ACTIVITY FEMTOGENIX LIMITED (GB) 2017-03-02 WO disclosed