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SCHEMBL8708604

SCHEMBL8708604

CCC(C)[C@H](NC)C(=O)CC(O)(C(=O)Oc1c(F)c(F)c(F)c(F)c1F)C(=O)C(O)(CC(=O)C(C)(O)C(=O)[C@H](C(C)CC)N(C)C(=O)OCc1ccccc1)C(=O)[C@@H](NC)C(C)CC

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CTSL P07711 2/20 0.33
▸ CTSB P07858 2/20 0.33
▸ CTSS P25774 2/20 0.33
▸ CTSK P43235 1/20 0.33
▸ ABCB1 P08183 1/20 0.31
▸ LMNA P02545 1/20 0.30

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
SCHEMBL9068141 0.93 MEN1 (0.36) MEN1KMT2ACTSLCTSBCTSS
SCHEMBL8714483 0.90 MEN1 (0.35) MEN1KMT2ACTSLCTSBCTSS
SCHEMBL8707726 0.90 MEN1 (0.37) MEN1KMT2ACTSLCTSBCTSS
SCHEMBL8892968 0.84 MEN1 (0.36) MEN1KMT2ACTSLCTSBCTSS
SCHEMBL8893922 0.83 MEN1 (0.37) MEN1KMT2ACTSLCTSBCTSS
SCHEMBL8893215 0.74 KMT2A (0.33) MEN1KMT2A
SCHEMBL8893105 0.73 MEN1 (0.36) MEN1KMT2ACTSLCTSBCTSS
SCHEMBL9099122 0.71 MMP1 (0.33) KMT2A
SCHEMBL8894245 0.70 CTSD (0.33) MEN1KMT2ACTSLCTSBCTSS
SCHEMBL8707602 0.69 CTSS (0.30) CTSSCTSK

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
US-5821222-A NEMATOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-10-13 — — US disclosed
US-5589503-A CYCLIC POLYLACTONEPOLYLACTAM COPOLYMERS AS PARASITICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-12-31 — — US disclosed