SCHEMBL30018616

SCHEMBL30018616

CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CCC(F)(F)F)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 3/20 0.49
▸ MDM2 Q00987 4/20 0.46
▸ TLR2 O60603 2/20 0.45
▸ MDM4 O15151 2/20 0.44
▸ TP53 P04637 2/20 0.44
▸ PIN1 Q13526 1/20 0.42

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
SCHEMBL30018939 0.93 CASP3 (0.49) CASP3MDM2TLR2MDM4TP53
SCHEMBL30069018 0.89 PTPN1 (0.48) CASP3MDM2
SCHEMBL29431036 0.89 CASP3 (0.53) CASP3MDM2TLR2MDM4TP53
SCHEMBL29462654 0.88 CASP3 (0.55) CASP3MDM2TLR2MDM4TP53
SCHEMBL29462951 0.87 CASP3 (0.49) CASP3MDM2TLR2MDM4TP53
SCHEMBL29706223 0.87 CASP3 (0.52) CASP3MDM2TLR2MDM4TP53
SCHEMBL29693009 0.87 CASP3 (0.59) CASP3MDM2MDM4TP53PIN1
SCHEMBL27172564 0.86 PTPN1 (0.49) MDM2
SCHEMBL27204705 0.86 PTPN1 (0.49) MDM2
SCHEMBL9437759 0.86 MDM2 (0.57) CASP3MDM2TLR2MDM4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4337674-A2 MODULATORS OF SORTILIN ACTIVITY Insusense ApS (DK) 2024-03-20 — — EP disclosed
EP-4326742-A1 MODULATORS OF SORTILIN ACTIVITY Insusense ApS (DK) 2024-02-28 — — EP disclosed
WO-2022238565-A2 COMPOUNDS INSUSENSE ApS (DK) 2022-11-17 — — WO disclosed
WO-2022223805-A1 MODULATORS OF SORTILIN ACTIVITY INSUSENSE ApS (DK) 2022-10-27 — — WO disclosed
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