SCHEMBL28259215

SCHEMBL28259215

C=CCOC(=O)SC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 3/20 0.50
▸ TP53 P04637 3/20 0.50
▸ SLC17A5 Q9NRA2 1/20 0.49
▸ CASP3 P42574 3/20 0.48
▸ TLR2 O60603 2/20 0.44
▸ MDM2 Q00987 5/20 0.44
▸ CASP1 P29466 1/20 0.43

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
SCHEMBL28259217 1.00 MDM4 (0.50) MDM4TP53SLC17A5CASP3TLR2
SCHEMBL14432835 0.85 MDM4 (0.59) MDM4TP53SLC17A5CASP3TLR2
SCHEMBL14788958 0.85 MDM4 (0.59) MDM4TP53SLC17A5CASP3TLR2
SCHEMBL30055069 0.84 MDM4 (0.51) MDM4TP53SLC17A5CASP3TLR2
SCHEMBL29376536 0.84 MDM4 (0.51) MDM4TP53SLC17A5CASP3TLR2
SCHEMBL119481 0.84 MDM4 (0.51) MDM4TP53SLC17A5CASP3TLR2
SCHEMBL29407853 0.84 MDM4 (0.51) MDM4TP53SLC17A5CASP3TLR2
SCHEMBL178741 0.84 MDM4 (0.51) MDM4TP53SLC17A5CASP3TLR2
SCHEMBL10187049 0.84 CASP3 (0.53) MDM4TP53CASP3MDM2CASP1
SCHEMBL30826385 0.84 CASP3 (0.53) MDM4TP53CASP3MDM2CASP1

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-105622725-B A method of preparing carbetocin 吉尔生化(上海)有限公司 2018-12-18 — — CN disclosed
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