SCHEMBL3873539

SCHEMBL3873539

C=C(C)C(=O)OCCOc1cc(COC(=O)C(=C)C)c([N+](=O)[O-])cc1OCCOC(=O)C(=C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
TDP1 Q9NUW8 2/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
THRB P10828 1/20 0.37
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
RECQL P46063 1/20 0.36
CYP1A2 P05177 2/20 0.35
LMNA P02545 2/20 0.35
S1PR4 O95977 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.34

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) ALDH1A1TDP1MTNR1AMTNR1BRAB9A
SCHEMBL13791870 0.94 MTNR1A (0.35) ALDH1A1TDP1MTNR1AMTNR1BTHRB
SCHEMBL1376483 0.90 MTNR1A (0.43) ALDH1A1TDP1MTNR1AMTNR1BRAB9A
SCHEMBL28691033 0.86 RAB9A (0.50) ALDH1A1TDP1MTNR1AMTNR1BRAB9A
SCHEMBL11026774 0.83 ALDH1A1 (0.39) ALDH1A1TDP1RAB9ANPC1SMN1; SMN2
SCHEMBL16651887 0.80 ALDH1A1 (0.39) ALDH1A1TDP1THRBSMN1; SMN2KMT2A
SCHEMBL11028007 0.79 THRB (0.42) ALDH1A1TDP1THRBRAB9ANPC1
SCHEMBL19548255 0.78 MTNR1A (0.45) ALDH1A1MTNR1AMTNR1BRAB9ANPC1
SCHEMBL29051658 0.78 ALDH1A1 (0.43) ALDH1A1MTNR1AMTNR1BRAB9ANPC1
SCHEMBL11023061 0.78 CYP1A2 (0.54) ALDH1A1TDP1SMN1; SMN2KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544721-B2 Photosensitive adhesive composition PRODUITS DENTAIRES PIERRE ROLLAND (FR) 2009-06-09 US claimed
US-20050182148-A1 Photosensitive adhesive composition PRODUITS DENTAIRES PIERRE ROLLAND (FR) 2005-08-18 US claimed
US-7544721-B2 Photosensitive adhesive composition PRODUITS DENTAIRES PIERRE ROLLAND (FR) 2009-06-09 US disclosed
US-20050182148-A1 Photosensitive adhesive composition PRODUITS DENTAIRES PIERRE ROLLAND (FR) 2005-08-18 US disclosed