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SCHEMBL8708607

SCHEMBL8708607

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

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 2/20 0.37
▸ CTSL P07711 3/20 0.33
▸ CTSB P07858 3/20 0.33
▸ CTSS P25774 3/20 0.33
▸ CTSK P43235 2/20 0.33
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL9068144 1.00 ABCB1 (0.37) ABCB1CTSLCTSBCTSSCTSK
SCHEMBL8707727 0.89 ABCB1 (0.41) ABCB1CTSLCTSBCTSSCTSK
SCHEMBL8714486 0.87 ABCB1 (0.38) ABCB1CTSLCTSBCTSSCTSK
SCHEMBL8893949 0.87 ABCB1 (0.38) ABCB1CTSLCTSBCTSSCTSK
SCHEMBL8893928 0.81 ABCB1 (0.40) ABCB1CTSLCTSBCTSSCTSK
SCHEMBL8892974 0.79 ABCB1 (0.37) ABCB1CTSLCTSBCTSSCTSK
SCHEMBL8894248 0.75 ALDH1A1 (0.32) CTSKMEN1KMT2A
SCHEMBL8895729 0.75 L3MBTL1 (0.34) MEN1KMT2A
SCHEMBL14962692 0.70 ABCB1 (0.51) ABCB1CTSLCTSBCTSSCTSK
SCHEMBL14957363 0.70 ABCB1 (0.51) ABCB1CTSLCTSBCTSSCTSK

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