SCHEMBL29096529

SCHEMBL29096529

CCC(=Cc1ccccc1O)[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.42
TRIM33 Q9UPN9 1/20 0.42
MAPT P10636 4/20 0.40
FBP1 P09467 3/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.39
CASP3 P42574 1/20 0.39
KMT2A Q03164 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
BAX Q07812 2/20 0.38
IAPP P10997 1/20 0.38
ALDH1A1 P00352 3/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
CCR6 P51684 1/20 0.38
CA2 P00918 3/20 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
SCHEMBL29096527 1.00 TRIM24 (0.42) TRIM24TRIM33MAPTFBP1LMNA
SCHEMBL29096547 0.82 ADORA2A (0.41) TRIM24TRIM33FBP1MEN1CASP3
SCHEMBL29096544 0.82 ADORA2A (0.41) TRIM24TRIM33FBP1MEN1CASP3
SCHEMBL8677538 0.81 TRPA1 (0.49) MAPTFBP1LMNAMEN1KMT2A
SCHEMBL8677541 0.81 TRPA1 (0.49) MAPTFBP1LMNAMEN1KMT2A
SCHEMBL8140581 0.79 LMNA (0.52) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL16973621 0.79 MITF (0.38) MAPTFBP1LMNAMEN1KMT2A
SCHEMBL8140582 0.79 LMNA (0.52) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL29096555 0.79 MAPT (0.41) MAPTLMNAMEN1CASP3KMT2A
SCHEMBL29096554 0.79 MAPT (0.41) MAPTLMNAMEN1CASP3KMT2A

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-116693552-A Polycyclic dihydrobenzofuran compound and preparation method thereof 浙江大学 2023-09-05 CN disclosed