SCHEMBL30554608

SCHEMBL30554608

CC(=O)OCCc1ccc(C(=O)OC(C)(C)C)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
THPO P40225 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
KMT2A Q03164 1/20 0.40
HIF1A Q16665 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
P4HTM Q9NXG6 2/20 0.39
GABRG2 P18507 11/20 0.39

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
SCHEMBL20719769 1.00 KDM4E (0.40) KDM4EMEN1ALDH1A1LMNACYP1A2
SCHEMBL31037762 0.81 P4HTM (0.63) KDM4EMEN1ALDH1A1LMNACYP1A2
SCHEMBL10165320 0.80 GABRG2 (0.44) KDM4EMEN1ALDH1A1LMNACYP1A2
SCHEMBL23361737 0.79 GABRG2 (0.43) KDM4EMEN1ALDH1A1LMNACYP1A2
SCHEMBL18172756 0.79 GABRG2 (0.43) KDM4EMEN1ALDH1A1LMNACYP1A2
SCHEMBL19556246 0.78 NR1H2 (0.42) KDM4EMEN1ALDH1A1LMNACYP1A2
SCHEMBL30112027 0.78 NR1H2 (0.42) KDM4EMEN1ALDH1A1LMNACYP1A2
SCHEMBL19555927 0.78 KDM4E (0.40) KDM4EMEN1ALDH1A1LMNACYP1A2
SCHEMBL27718312 0.75 TSHR (0.51) KDM4EMEN1ALDH1A1LMNACYP1A2
SCHEMBL20943263 0.74 ALDH1A1 (0.54) MEN1ALDH1A1LMNAMAPTPKM

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
EP-3447058-B1 NOVEL BROAD-SPECTRUM BETA-LACTAMASE INHIBITOR WUHAN VISION PHARMACEUTICAL TECH CO LTD (CN) 2023-10-11 EP disclosed