SCHEMBL17805723

SCHEMBL17805723

C[C@@H]1C[C@H]2C(=O)N[C@]3(C(=O)NS(=O)(=O)C4CC4)C[C@H]3/C=C\CCCCCCC(=O)N2C1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.41
▸ CTSS P25774 1/20 0.38
▸ CYP3A4 P08684 2/20 0.34
▸ ADRB3 P13945 1/20 0.30
▸ ADRA2B P18089 1/20 0.30
▸ ADRA2C P18825 1/20 0.30

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
SCHEMBL8249221 0.86 CTSB (0.41) CTSBCTSS
SCHEMBL15509451 0.86 CTSB (0.41) CTSBCTSS
SCHEMBL7914476 0.86 CTSB (0.41) CTSBCTSS
SCHEMBL15509453 0.86 CTSB (0.41) CTSBCTSS
SCHEMBL15509452 0.86 CTSB (0.41) CTSBCTSS
SCHEMBL14606319 0.85 CTSB (0.39) CTSBCTSSCYP3A4ADRB3ADRA2B
SCHEMBL13892492 0.84 CTSB (0.38) CTSBCTSSCYP3A4ADRB3ADRA2B
SCHEMBL13082459 0.83 CYP3A4 (0.40) CTSBCTSSCYP3A4ADRB3ADRA2B
SCHEMBL13788186 0.83 CTSB (0.38) CTSBCTSSCYP3A4ADRB3ADRA2B
SCHEMBL13788164 0.83 CTSB (0.38) CTSBCTSSCYP3A4ADRB3ADRA2B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2477980-B1 HCV PROTEASE INHIBITORS TAIGEN BIOTECHNOLOGY CO LTD (TW) 2016-06-08 — — EP disclosed
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