SCHEMBL28014140

SCHEMBL28014140

O=C(O)COc1ccc(C(=O)c2ccccc2)c([N+](=O)[O-])c1OCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.52
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 2/20 0.45
POLB P06746 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GLA P06280 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALOX5 P09917 1/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALOX15 P16050 2/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP2C9 P11712 1/20 0.38
AKR1B1 P15121 1/20 0.38
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CTSD P07339 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
SCHEMBL27448977 0.77 MAPT (0.55) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL8414412 0.76 PTGDR2 (0.57) PTGDR2MEN1KMT2AALDH1A1POLB
SCHEMBL28910346 0.76 PTPN11 (0.42) MEN1KMT2AMAPTCYP2C9
SCHEMBL7431459 0.73 HPGD (0.39) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL6572279 0.73 BCL9 (0.43) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL29388652 0.73 PTGDR2 (0.68) PTGDR2MEN1KMT2AALDH1A1POLB
SCHEMBL867129 0.73 PTGDR2 (0.68) PTGDR2MEN1KMT2AALDH1A1POLB
SCHEMBL11541420 0.72 CYP2C9 (0.65) PTGDR2MEN1KMT2AALDH1A1POLB
SCHEMBL5898858 0.72 MAPT (0.67) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL7434951 0.72 LMNA (0.51) MEN1KMT2AALDH1A1SMN1; SMN2MAPT

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-104491864-A Controlled Release Antimicrobial Compositions And Methods For The Treatment Of Otic Disorders OTONOMY INC 2015-04-08 CN disclosed