SCHEMBL874472

SCHEMBL874472

COc1cc(CC(=O)OCl)c([N+](=O)[O-])cc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.60
NPC1 O15118 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
ALDH1A1 P00352 5/20 0.57
CYP3A4 P08684 3/20 0.55
CYP2C19 P33261 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
CYP1A2 P05177 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.51
LMNA P02545 1/20 0.51
HPGD P15428 1/20 0.51
MAPT P10636 1/20 0.50
CTSD P07339 5/20 0.49
CYP2D6 P10635 1/20 0.49
PDGFRB P09619 1/20 0.49
FGFR1 P11362 1/20 0.49
PDGFRA P16234 1/20 0.49
FLT1 P17948 1/20 0.49
FGFR3 P22607 1/20 0.49

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
SCHEMBL6572119 0.88 RAB9A (0.63) RAB9ANPC1SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL28668958 0.84 RAB9A (0.60) RAB9ANPC1SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL28074773 0.83 RAB9A (0.64) RAB9ANPC1SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL636601 0.83 RAB9A (0.64) RAB9ANPC1SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL27610152 0.80 SMN1; SMN2 (0.51) RAB9ANPC1SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL27512815 0.78 RAB9A (0.59) RAB9ANPC1SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL29976361 0.78 RAB9A (0.57) RAB9ANPC1SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL67755 0.78 RAB9A (0.57) RAB9ANPC1SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL66837 0.78 ALDH1A1 (0.56) RAB9ANPC1SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL14705131 0.78 RAB9A (0.52) RAB9ANPC1SMN1; SMN2ALDH1A1CYP3A4

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-2618821-A2 NANOSTRUCTURED GELS CAPABLE OF CONTROLLED RELEASE OF ENCAPSULATED AGENTS The Brigham and Women's Hospital, Inc. (US) 2013-07-31 EP disclosed
WO-2012040623-A2 NANOSTRUCTURED GELS CAPABLE OF CONTROLLED RELEASE OF ENCAPSULATED AGENTS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2012-03-29 WO disclosed