SCHEMBL29088272

SCHEMBL29088272

O=C(O)CC[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CPA3 P15088 3/20 1.00
▸ CYP1A2 P05177 1/20 0.70
▸ CPA1 P15085 2/20 0.67
▸ CPB1 P15086 1/20 0.67
▸ CPB2 Q96IY4 1/20 0.67
▸ FOLH1 Q04609 2/20 0.64
▸ NAALAD2 Q9Y3Q0 2/20 0.61
▸ SLC1A3 P43003 1/20 0.56
▸ SLC1A2 P43004 1/20 0.56
▸ SLC1A1 P43005 1/20 0.56

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
SCHEMBL3963424 1.00 CPA3 (1.00) CPA3CYP1A2CPA1CPB1CPB2
SCHEMBL17537902 0.92 CPA3 (0.85) CPA3CYP1A2CPA1CPB1CPB2
SCHEMBL3174797 0.89 CPA3 (0.80) CPA3CYP1A2CPA1CPB1CPB2
SCHEMBL12494537 0.89 CPA3 (0.80) CPA3CYP1A2CPA1CPB1CPB2
SCHEMBL19821208 0.88 CYP1A2 (0.83) CPA3CYP1A2CPA1CPB1CPB2
SCHEMBL6724759 0.88 CYP1A2 (0.83) CPA3CYP1A2CPA1CPB1CPB2
SCHEMBL12494233 0.88 CYP1A2 (0.83) CPA3CYP1A2CPA1CPB1CPB2
SCHEMBL26679347 0.87 CPA3 (0.77) CPA3CYP1A2CPA1CPB1CPB2
SCHEMBL31303730 0.86 CPA3 (0.75) CPA3CYP1A2CPA1CPB1CPB2
SCHEMBL11143841 0.86 CPA3 (0.75) CPA3CYP1A2CPA1CPB1CPB2

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-114471474-B Resin material capable of selectively adsorbing Am (III) in high acid environment and preparation method thereof 兰州大学 2023-09-08 — — CN disclosed
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