SCHEMBL30885174

SCHEMBL30885174

O=C=N[C@@H](Cc1cccc2ccccc12)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTNNB1 P35222 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.49
▸ HRH4 Q9H3N8 1/20 0.44
▸ SLC1A3 P43003 1/20 0.44
▸ SLC1A2 P43004 1/20 0.44
▸ SLC1A1 P43005 1/20 0.44
▸ MME P08473 2/20 0.43
▸ ACE P12821 2/20 0.43
▸ CPA1 P15085 1/20 0.43
▸ ACE2 Q9BYF1 1/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ ACP3 P15309 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CTSS P25774 1/20 0.40
▸ CTSK P43235 1/20 0.40
▸ MMP9 P14780 2/20 0.40

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
Leucine SCHEMBL27478083 0.87 CTNNB1 (0.41) CTNNB1TDP1SLC1A3SLC1A2SLC1A1
Leucine SCHEMBL27470090 0.84 CTNNB1 (0.39) CTNNB1TDP1SLC1A3SLC1A2SLC1A1
SCHEMBL7065955 0.84 PSMB5 (0.43) CTNNB1TDP1HRH4SLC1A3SLC1A2
Leucine SCHEMBL2294646 0.84 CTNNB1 (0.39) CTNNB1TDP1SLC1A3SLC1A2SLC1A1
SCHEMBL12532011 0.83 CTNNB1 (0.56) CTNNB1TDP1HRH4SLC1A3SLC1A2
SCHEMBL13122619 0.83 CTNNB1 (0.56) CTNNB1TDP1HRH4SLC1A3SLC1A2
SCHEMBL28094779 0.83 KMT2A (0.50) CTNNB1TDP1HRH4CYP1A2CYP2D6
Water SCHEMBL28094441 0.82 KMT2A (0.49) CTNNB1TDP1HRH4CYP1A2CYP2D6
SCHEMBL30885150 0.79 CTNNB1 (0.52) CTNNB1TDP1HRH4SLC1A3SLC1A2
SCHEMBL6447307 0.78 CTNNB1 (0.54) CTNNB1TDP1HRH4SLC1A3SLC1A2

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
US-12419832-B2 Intratumoral delivery of bortezomib COGNOS THERAPEUTICS, INC. (US) 2025-09-23 — — US disclosed
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