SCHEMBL3290656

SCHEMBL3290656

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 4/20 0.47
TSHR P16473 1/20 0.47
MAOB P27338 1/20 0.47
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
PTPN1 P18031 1/20 0.43
POLB P06746 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL3290647 0.94 ALDH1A1 (0.53) MEN1KMT2AALDH1A1TSHRMAOB
SCHEMBL1919090 0.85 CYP4F2 (0.63) MEN1KMT2AALDH1A1TSHRMAOB
SCHEMBL18801901 0.84 LMNA (0.51) MEN1KMT2AALDH1A1TSHRMAOB
SCHEMBL27876784 0.82 KMT2A (0.48) MEN1KMT2AALDH1A1TSHRMAOB
SCHEMBL28305913 0.81 ALDH1A1 (0.50) MEN1KMT2AALDH1A1TSHRMAOB
SCHEMBL1759352 0.80 MAOB (0.55) MEN1KMT2AALDH1A1TSHRMAOB
SCHEMBL3291386 0.79 ALDH1A1 (0.56) MEN1KMT2AALDH1A1TSHRNPC1
SCHEMBL31379000 0.79 ALDH1A1 (0.56) MEN1KMT2AALDH1A1TSHRNPC1
SCHEMBL10752489 0.79 ALDH1A1 (0.55) MEN1KMT2AALDH1A1TSHRMAOB
SCHEMBL23542538 0.79 KMT2A (0.50) MEN1KMT2AALDH1A1TSHRMAOB

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