SCHEMBL1376483

SCHEMBL1376483

C=C(C)C(=O)OCCOC(=O)OCCOc1cc([N+](=O)[O-])c(COC(=O)OCCOC(=O)C(=C)C)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
ALDH1A1 P00352 9/20 0.40
CYP1A2 P05177 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HTT P42858 1/20 0.39
CYP2D6 P10635 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 1/20 0.38
CTSD P07339 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL1378838 0.95 NPC1 (0.44) MTNR1AMTNR1BNPC1RAB9ASMN1; SMN2
SCHEMBL3873539 0.90 ALDH1A1 (0.38) MTNR1AMTNR1BNPC1RAB9ASMN1; SMN2
SCHEMBL28691033 0.86 RAB9A (0.50) MTNR1AMTNR1BNPC1RAB9ASMN1; SMN2
SCHEMBL13791870 0.85 MTNR1A (0.35) MTNR1AMTNR1BNPC1RAB9ASMN1; SMN2
SCHEMBL26661473 0.82 RAB9A (0.56) MTNR1AMTNR1BNPC1RAB9ASMN1; SMN2
SCHEMBL19548255 0.81 MTNR1A (0.45) MTNR1AMTNR1BNPC1RAB9ASMN1; SMN2
SCHEMBL26397659 0.81 SMN1; SMN2 (0.49) MTNR1AMTNR1BNPC1RAB9ASMN1; SMN2
SCHEMBL26397651 0.79 RAB9A (0.48) MTNR1AMTNR1BNPC1RAB9ASMN1; SMN2
SCHEMBL22359916 0.79 ALDH1A1 (0.40) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL19183586 0.78 CYP3A4 (0.43) MTNR1AMTNR1BNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4606742-B2 2011-01-05 JP claimed
US-7544721-B2 Photosensitive adhesive composition PRODUITS DENTAIRES PIERRE ROLLAND (FR) 2009-06-09 US claimed
JP-2005533754-A 2005-11-10 JP claimed
US-20050182148-A1 Photosensitive adhesive composition PRODUITS DENTAIRES PIERRE ROLLAND (FR) 2005-08-18 US claimed
EP-1490014-A2 PHOTOSENSITIVE ADHESIVE COMPOSITION Produits Dentaires PIERRE ROLLAND (FR) 2004-12-29 EP claimed
WO-2003082218-A2 PHOTOSENSITIVE ADHESIVE COMPOSITION PRODUITS DENTAIRES PIERRE ROLLAND (FR) 2003-10-09 WO claimed
US-7544721-B2 Photosensitive adhesive composition PRODUITS DENTAIRES PIERRE ROLLAND (FR) 2009-06-09 US disclosed
US-7544721-B2 Photosensitive adhesive composition PRODUITS DENTAIRES PIERRE ROLLAND (FR) 2009-06-09 US disclosed
US-7544721-B2 Photosensitive adhesive composition PRODUITS DENTAIRES PIERRE ROLLAND (FR) 2009-06-09 US disclosed