SCHEMBL29155702

SCHEMBL29155702

Cc1ccc([N+](=O)[O-])c(C(=O)O)n1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.51
CTSH P09668 1/20 0.51
ALDH1A1 P00352 4/20 0.50
TSHR P16473 4/20 0.49
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CASP6 P55212 1/20 0.44
POLB P06746 1/20 0.41
DTYMK P23919 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
HCAR3 P49019 1/20 0.38

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
SCHEMBL11720345 0.84 CTSB (0.50) CTSBCTSHALDH1A1TSHRTDP1
SCHEMBL11638553 0.82 MAPK1 (0.49) CTSBCTSHALDH1A1TSHRPOLB
SCHEMBL14358005 0.80 CTSB (0.47) CTSBCTSHALDH1A1TSHRTDP1
SCHEMBL13401729 0.80 CASP6 (0.46) ALDH1A1TSHRTDP1L3MBTL1CASP6
SCHEMBL29157027 0.79 MAPT (0.55) TSHRTDP1L3MBTL1CASP6POLB
SCHEMBL1798322 0.77 TSHR (0.44) ALDH1A1TSHRTDP1L3MBTL1CASP6
SCHEMBL801581 0.77 CTSB (0.62) CTSBCTSHALDH1A1TSHRTDP1
SCHEMBL2475369 0.75 ALDH1A1 (0.47) ALDH1A1TSHRTDP1L3MBTL1POLB
SCHEMBL30810188 0.75 CTSB (0.54) CTSBCTSHALDH1A1TSHRTDP1
SCHEMBL1135629 0.75 CTSB (0.54) CTSBCTSHALDH1A1TSHRTDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117304635-A Anti-aging sole and processing technology thereof 温州锦瓯鞋材有限公司 2023-12-29 CN claimed
CN-117304635-A Anti-aging sole and processing technology thereof 温州锦瓯鞋材有限公司 2023-12-29 CN disclosed