SCHEMBL3290647

SCHEMBL3290647

O=C(CCc1ccccc1[N+](=O)[O-])OC(=O)CCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
TSHR P16473 1/20 0.53
HPGD P15428 1/20 0.49
MAOB P27338 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.45
MAPT P10636 1/20 0.45
PTPN1 P18031 1/20 0.44
CTSD P07339 1/20 0.44

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
SCHEMBL3290656 0.94 MEN1 (0.48) ALDH1A1TSHRHPGDMAOBL3MBTL1
SCHEMBL28305913 0.87 ALDH1A1 (0.50) ALDH1A1TSHRHPGDMAOBL3MBTL1
SCHEMBL18801901 0.87 LMNA (0.51) ALDH1A1TSHRMAOBL3MBTL1MEN1
SCHEMBL31379000 0.84 ALDH1A1 (0.56) ALDH1A1TSHRL3MBTL1MEN1KMT2A
SCHEMBL3291386 0.84 ALDH1A1 (0.56) ALDH1A1TSHRL3MBTL1MEN1KMT2A
SCHEMBL23542538 0.84 KMT2A (0.50) ALDH1A1TSHRHPGDMAOBL3MBTL1
SCHEMBL1919090 0.84 CYP4F2 (0.63) ALDH1A1TSHRMAOBL3MBTL1MEN1
SCHEMBL27992608 0.84 ALDH1A1 (0.58) ALDH1A1TSHRHPGDMAOBL3MBTL1
SCHEMBL6933192 0.83 ALDH1A1 (0.50) ALDH1A1TSHRHPGDMAOBL3MBTL1
SCHEMBL6002942 0.82 ALDH1A1 (0.56) ALDH1A1TSHRHPGDL3MBTL1MEN1

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
CN-110627832-A Preparation method for synthesizing tenofovir alafenamide by oxidation method 江西农业大学 2019-12-31 CN claimed
CN-110627832-A Preparation method for synthesizing tenofovir alafenamide by oxidation method 江西农业大学 2019-12-31 CN disclosed
US-7727434-B2 Membranes and methods of treating membranes GENERAL ELECTRIC COMPANY (US) 2010-06-01 US disclosed
US-20070039874-A1 Membranes and methods of treating membranes GENERAL ELECTRIC COMPANY 2007-02-22 US disclosed