SCHEMBL29988470

SCHEMBL29988470

CC1(C)OCC(C(=O)O)N1C(=O)C(CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 2/20 0.42
▸ TP53 P04637 2/20 0.42
▸ CASP3 P42574 3/20 0.39
▸ PIN1 Q13526 1/20 0.38
▸ TLR2 O60603 2/20 0.37
▸ MDM2 Q00987 2/20 0.37

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
SCHEMBL30390257 0.92 TLR2 (0.42) MDM4TP53CASP3PIN1TLR2
SCHEMBL14403081 0.87 MDM4 (0.42) MDM4TP53CASP3PIN1MDM2
SCHEMBL13402610 0.87 MDM4 (0.42) MDM4TP53CASP3PIN1MDM2
SCHEMBL16325618 0.86 MDM4 (0.42) MDM4TP53CASP3MDM2
SCHEMBL29397738 0.86 MDM4 (0.42) MDM4TP53CASP3MDM2
SCHEMBL17117694 0.85 MDM4 (0.41) MDM4TP53CASP3PIN1TLR2
SCHEMBL17117698 0.84 MDM4 (0.43) MDM4TP53CASP3PIN1MDM2
SCHEMBL29401616 0.84 MDM4 (0.43) MDM4TP53CASP3MDM2
SCHEMBL29398493 0.84 MDM4 (0.43) MDM4TP53CASP3PIN1MDM2
SCHEMBL13402579 0.84 MDM4 (0.43) MDM4TP53CASP3PIN1MDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112175066-B Method for preparing sertraline 浙江苏泊尔制药有限公司 2022-12-02 — — CN claimed
CN-112175066-B Method for preparing sertraline 浙江苏泊尔制药有限公司 2022-12-02 — — CN disclosed
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