SCHEMBL20422767

SCHEMBL20422767

CC(C)C[C@H](NC(=O)C1CC1C(=O)O)C(=O)NCCCCNC(=N)N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CAPN9 O14815 3/20 0.53
▸ CAPN1 P07384 11/20 0.51
▸ CTSK P43235 2/20 0.51
▸ CTSB P07858 2/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ CTSL P07711 1/20 0.51
▸ CTSH P09668 1/20 0.51
▸ CTSS P25774 1/20 0.51
▸ CTSC P53634 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ USP2 O75604 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ BLM P54132 1/20 0.51
▸ NPY4R P50391 4/20 0.38
▸ NPY1R P25929 3/20 0.38
▸ NPY2R P49146 3/20 0.38
▸ NPY5R Q15761 3/20 0.38

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
SCHEMBL23133278 1.00 CAPN9 (0.53) CAPN9CAPN1CTSKCTSBMAPK1
SCHEMBL20422771 1.00 CAPN9 (0.53) CAPN9CAPN1CTSKCTSBMAPK1
SCHEMBL20422774 1.00 CAPN9 (0.53) CAPN9CAPN1CTSKCTSBMAPK1
SCHEMBL22687573 1.00 CAPN9 (0.53) CAPN9CAPN1CTSKCTSBMAPK1
SCHEMBL22687572 1.00 CAPN9 (0.53) CAPN9CAPN1CTSKCTSBMAPK1
E-64 SCHEMBL13283063 0.81 CAPN1 (0.74) CAPN9CAPN1CTSKCTSBMAPK1
E-64 SCHEMBL23132676 0.81 CAPN1 (0.74) CAPN9CAPN1CTSKCTSBMAPK1
E-64 SCHEMBL13523481 0.81 CAPN1 (0.74) CAPN9CAPN1CTSKCTSBMAPK1
E-64 SCHEMBL16452857 0.81 CAPN1 (0.74) CAPN9CAPN1CTSKCTSBMAPK1
E-64 SCHEMBL7087294 0.81 CAPN1 (0.74) CAPN9CAPN1CTSKCTSBMAPK1

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-11000535-B2 Anticancer composition and use thereof KAOHSIUNG MEDICAL UNIVERSITY (TW) 2021-05-11 — — US disclosed
US-20180214469-A1 ANTICANCER COMPOSITION AND USE THEREOF KAOHSIUNG MEDICAL UNIVERSITY (TW) 2018-08-02 — — US disclosed
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