Sugi Predict

Sugi Predict / Compounds / SCHEMBL8075650

SCHEMBL8075650

SCHEMBL8075650

CC[C@H](C)C(COC(CC(C)C)C(=O)N[C@@H]1CCOC1=O)NCC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTRB1 P17538 2/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ SCN9A Q15858 4/20 0.33
▸ REN P00797 8/20 0.32
▸ CTSL P07711 1/20 0.32
▸ CTSS P25774 1/20 0.32
▸ CTSK P43235 1/20 0.32
▸ CTSD P07339 1/20 0.31
▸ FNTA P49354 1/20 0.31
▸ FNTB P49356 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
SCHEMBL5891423 0.93 FNTA (0.39) SCN9ARENFNTAFNTB
SCHEMBL8079882 0.93 FNTA (0.39) SCN9ARENFNTAFNTB
SCHEMBL8075177 0.91 KDM4E (0.34) CTRB1ADORA1SCN9AREN
SCHEMBL8075466 0.90 SCN9A (0.33) ADORA1SCN9AREN
SCHEMBL8065509 0.84 KMT2A (0.33) ADORA1SCN9AREN
SCHEMBL8065171 0.82 SYK (0.35) ADORA1SCN9AREN
SCHEMBL8073460 0.82 CA1 (0.34) CTSSCTSK
SCHEMBL8073871 0.82 EGFR (0.43) SCN9ARENFNTAFNTB
SCHEMBL8961398 0.81 SCN9A (0.45) SCN9ARENCTSD
SCHEMBL8065165 0.80 KMT2A (0.32) ADORA1SCN9AREN

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
EP-0666844-B1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2000-08-23 — — EP disclosed
WO-1994010138-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1994-05-11 — — WO disclosed