SCHEMBL28074773

SCHEMBL28074773

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

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.64
NPC1 O15118 3/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
ALDH1A1 P00352 4/20 0.61
CYP3A4 P08684 4/20 0.59
CYP2C19 P33261 2/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
CYP1A2 P05177 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.54
LMNA P02545 1/20 0.54
HPGD P15428 1/20 0.54
MAPT P10636 2/20 0.53
CYP2D6 P10635 1/20 0.52
CTSD P07339 4/20 0.52
KDM4E B2RXH2 1/20 0.49
ALOX15 P16050 1/20 0.49
PRKDC P78527 1/20 0.49
HSD17B10 Q99714 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
SCHEMBL636601 0.87 RAB9A (0.64) RAB9ANPC1SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL6572119 0.86 RAB9A (0.63) RAB9ANPC1SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL874472 0.83 RAB9A (0.60) RAB9ANPC1SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL26661473 0.83 RAB9A (0.56) RAB9ANPC1SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL28668958 0.82 RAB9A (0.60) RAB9ANPC1SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL27512815 0.82 RAB9A (0.59) RAB9ANPC1SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL29976361 0.81 RAB9A (0.57) RAB9ANPC1SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL67755 0.81 RAB9A (0.57) RAB9ANPC1SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL11593077 0.81 RAB9A (0.54) RAB9ANPC1SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL9250162 0.81 RAB9A (0.54) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105829485-A Photocurable Composition Having Adhesive Properties 思美定株式会社 2016-08-03 CN disclosed