SCHEMBL28484063

SCHEMBL28484063

O=C(CS)CC(Cc1ccccc1)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CPA1 P15085 9/20 0.70
▸ CPA3 P15088 3/20 0.68
▸ FOLH1 Q04609 2/20 0.68
▸ CPB1 P15086 1/20 0.68
▸ CPB2 Q96IY4 1/20 0.68
▸ CYP1A2 P05177 1/20 0.66
▸ MME P08473 3/20 0.63
▸ SLC1A3 P43003 1/20 0.53
▸ SLC1A2 P43004 1/20 0.53
▸ SLC1A1 P43005 1/20 0.53

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
SCHEMBL6469019 1.00 CPA1 (0.70) CPA1CPA3FOLH1CPB1CPB2
SCHEMBL17799165 0.87 CPA1 (0.72) CPA1CPA3FOLH1CPB1CPB2
SCHEMBL28901708 0.86 CPA3 (0.54) CPA1CPA3FOLH1CPB1CPB2
SCHEMBL28102506 0.82 CPA1 (1.00) CPA1CPA3FOLH1CPB1CPB2
SCHEMBL7286643 0.82 CPA1 (0.70) CPA1CPA3FOLH1CPB1CPB2
SCHEMBL17948789 0.82 CPA1 (0.70) CPA1CPA3FOLH1CPB1CPB2
SCHEMBL10076047 0.82 CPA1 (0.70) CPA1CPA3FOLH1CPB1CPB2
SCHEMBL1177225 0.82 CPA1 (0.70) CPA1CPA3FOLH1CPB1CPB2
SCHEMBL7540821 0.81 CPA1 (0.72) CPA1CPA3FOLH1CPB1CPB2
SCHEMBL1559014 0.81 FOLH1 (1.00) CPA1CPA3FOLH1CPB1CPB2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109438303-B Method for preparing racecadotril by one-pot method 山东齐都药业有限公司 2020-10-16 — — CN claimed
CN-109438303-B Method for preparing racecadotril by one-pot method 山东齐都药业有限公司 2020-10-16 — — CN disclosed
CN-109438303-B Method for preparing racecadotril by one-pot method 山东齐都药业有限公司 2020-10-16 — — CN disclosed
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