SCHEMBL29852292

SCHEMBL29852292

CCOC(=O)CCCCc1ccc(C(=O)O)nc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 2/20 0.65
ALDH1A1 P00352 2/20 0.65
KDM4E B2RXH2 1/20 0.65
MEN1 O00255 1/20 0.65
LMNA P02545 1/20 0.65
CYP1A2 P05177 1/20 0.65
CYP3A4 P08684 1/20 0.65
MAPT P10636 1/20 0.65
PKM P14618 1/20 0.65
ALOX15 P16050 1/20 0.65
TSHR P16473 1/20 0.65
THPO P40225 1/20 0.65
BLM P54132 1/20 0.65
PMP22 Q01453 1/20 0.65
KMT2A Q03164 1/20 0.65
HIF1A Q16665 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
P4HTM Q9NXG6 2/20 0.56
CYP4Z1 Q86W10 2/20 0.49

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
SCHEMBL29852322 0.96 TDP1 (0.67) NFKB1ALDH1A1KDM4EMEN1LMNA
SCHEMBL29852284 0.90 P4HTM (0.65) NFKB1ALDH1A1KDM4EMEN1LMNA
SCHEMBL10932522 0.84 L3MBTL1 (0.55) NFKB1ALDH1A1KDM4EMEN1LMNA
Trifluoroacetic Acid SCHEMBL29852749 0.83 P4HTM (0.59) NFKB1ALDH1A1KDM4EMEN1LMNA
SCHEMBL6665672 0.82 CYP4Z1 (0.50) NFKB1ALDH1A1KDM4EMEN1LMNA
SCHEMBL29852408 0.81 P4HTM (0.63) NFKB1ALDH1A1KDM4EMEN1LMNA
SCHEMBL5016035 0.81 ALDH1A1 (0.90) NFKB1ALDH1A1KDM4EMEN1LMNA
SCHEMBL27376275 0.81 P4HTM (0.78) NFKB1ALDH1A1KDM4EMEN1LMNA
SCHEMBL29852304 0.80 KDM4E (0.56) NFKB1ALDH1A1KDM4EMEN1LMNA
SCHEMBL7102186 0.80 CYP4Z1 (0.48) NFKB1ALDH1A1KDM4EMEN1LMNA

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-114929697-A Azabenzimidazole compounds and medicaments 日本新药株式会社 2022-08-19 CN disclosed