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Sugi Predict / Compounds / SCHEMBL8097973

SCHEMBL8097973

SCHEMBL8097973

CCCC(C[C@@H](c1cc(C)c[nH]1)[C@H](C/C=C/c1ccccc1)C(=O)NOC1CCCCO1)(C(=O)NN)S(C)(=O)=O

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 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
SCHEMBL6942423 0.89 TGFBR1 (0.33) P2RX3TGFBR1
SCHEMBL8111670 0.86 ADAM17 (0.38) —
SCHEMBL6945779 0.86 TGFBR1 (0.33) P2RX3TGFBR1
SCHEMBL6943244 0.83 TGFBR1 (0.35) P2RX3TGFBR1
SCHEMBL6946755 0.82 TGFBR1 (0.32) P2RX3TGFBR1
SCHEMBL6944946 0.81 TGFBR1 (0.32) TGFBR1
SCHEMBL7938335 0.81 TGFBR1 (0.33) P2RX3TGFBR1
SCHEMBL7103575 0.80 TGFBR1 (0.32) TGFBR1
SCHEMBL6947105 0.79 P2RX3 (0.34) P2RX3TGFBR1
SCHEMBL6948116 0.79 TGFBR1 (0.32) P2RX3TGFBR1

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-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