SCHEMBL29071444

SCHEMBL29071444

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

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACP3 P15309 1/20 0.48
▸ TP53 P04637 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ HTT P42858 2/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ ALDH1A1 P00352 4/20 0.44
▸ LMNA P02545 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ CES2 O00748 1/20 0.43
▸ CES1 P23141 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ GRM8 O00222 4/20 0.42
▸ GRM4 Q14833 4/20 0.42
▸ ALOX15 P16050 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ GRM6 O15303 3/20 0.41

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
SCHEMBL29071441 0.90 ACP3 (0.46) ACP3TP53SMN1; SMN2HTTL3MBTL1
SCHEMBL11044208 0.84 TSHR (0.50) ACP3SMN1; SMN2HTTL3MBTL1ALDH1A1
SCHEMBL30549421 0.83 SMN1; SMN2 (0.46) ACP3SMN1; SMN2HTTL3MBTL1ALDH1A1
SCHEMBL5495389 0.82 TDP1 (0.47) ALDH1A1TSHRCES2CES1MAPT
SCHEMBL2886387 0.77 CYP2C19 (0.43) L3MBTL1ALDH1A1LMNACES2CES1
SCHEMBL28701232 0.77 ACP3 (0.43) ACP3TP53SMN1; SMN2LMNA
SCHEMBL16954911 0.76 TSHR (0.55) ACP3SMN1; SMN2HTTL3MBTL1ALDH1A1
SCHEMBL21634465 0.75 ACP3 (0.54) ACP3TP53SMN1; SMN2HTTL3MBTL1
SCHEMBL11028486 0.74 MEN1 (0.46) ACP3SMN1; SMN2HTTL3MBTL1ALDH1A1
SCHEMBL9300488 0.73 TSHR (0.52) ACP3SMN1; SMN2L3MBTL1ALDH1A1LMNA

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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