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Sugi Predict / Compounds / SCHEMBL6942438

SCHEMBL6942438

SCHEMBL6942438

CCC[C@](C(=O)NN)(c1ccc(C)cc1[C@H](C/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)NOC1CCCCO1)S(C)(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.35
▸ MAPT P10636 1/20 0.32
▸ TGFBR1 P36897 1/20 0.32

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
SCHEMBL6946176 0.91 TGFBR1 (0.33) TGFBR1
SCHEMBL6942383 0.90 TGFBR1 (0.32) TGFBR1
SCHEMBL6943304 0.87 TGFBR1 (0.34) TGFBR1
SCHEMBL6940117 0.86 GRIK1 (0.35) MAPT
SCHEMBL6946104 0.85 TGFBR1 (0.31) TGFBR1
SCHEMBL6946850 0.85 TGFBR1 (0.31) TGFBR1
SCHEMBL6945267 0.84 TGFBR1 (0.32) TGFBR1
SCHEMBL6942205 0.83 TGFBR1 (0.32) TGFBR1
SCHEMBL6942114 0.82 MGLL (0.30) —
SCHEMBL8113423 0.82 MGLL (0.30) —

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-0993442-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-04-23 — — EP disclosed
US-6235787-B1 ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES; BONE DISORDERS; SKIN DISORDERS; MULTIPLE SCLEROSIS HOFFMANN-LA ROCHE INC. 2001-05-22 — — US disclosed
EP-0993442-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-04-19 — — EP disclosed
WO-1999001428-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-01-14 — — WO disclosed