SCHEMBL29071441

SCHEMBL29071441

C=CC(OC(=O)OC(C=C)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACP3 P15309 1/20 0.46
▸ LMNA P02545 2/20 0.45
▸ TSHR P16473 4/20 0.44
▸ CES2 O00748 1/20 0.44
▸ CES1 P23141 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ HTT P42858 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ ALDH1A1 P00352 5/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL29071444 0.90 ACP3 (0.48) ACP3LMNATSHRCES2CES1
SCHEMBL30549421 0.90 SMN1; SMN2 (0.46) ACP3LMNASMN1; SMN2HTTL3MBTL1
SCHEMBL11044208 0.85 TSHR (0.50) ACP3LMNATSHRCES2CES1
SCHEMBL5495387 0.82 KMT2A (0.45) TSHRCES1MAPTALDH1A1MEN1
SCHEMBL16954911 0.77 TSHR (0.55) ACP3LMNATSHRCES2CES1
SCHEMBL14703649 0.76 MGLL (0.48) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL11028486 0.75 MEN1 (0.46) ACP3LMNATSHRCES2CES1
SCHEMBL2886386 0.74 CYP2C19 (0.43) LMNACES2CES1L3MBTL1MAPT
SCHEMBL9300488 0.74 TSHR (0.52) ACP3LMNATSHRSMN1; SMN2L3MBTL1
SCHEMBL21634465 0.73 ACP3 (0.54) ACP3LMNATSHRSMN1; SMN2HTT

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-116730993-A Teranavir intermediate and preparation method of Teranavir 浙江科技学院 2023-09-12 — — CN disclosed
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