SCHEMBL12820180

SCHEMBL12820180

CC[C@H]1/C=C\CCCCC[C@H](NC(C)=O)C(=O)N2CCC[C@H]2C(=O)N[C@H]1C(=O)N[S+]([O-])C1CC1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BIRC3 Q13489 3/20 0.34
▸ XIAP P98170 2/20 0.34
▸ BIRC2 Q13490 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ TERF2 Q15554 3/20 0.32
▸ HDAC4 P56524 7/20 0.31
▸ HDAC1 Q13547 7/20 0.31
▸ SLC40A1 Q9NP59 1/20 0.31
▸ PSMB8 P28062 1/20 0.31
▸ PSMB9 P28065 1/20 0.31
▸ ITGB1 P05556 2/20 0.30
▸ ITGA4 P13612 2/20 0.30
▸ HDAC6 Q9UBN7 4/20 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
SCHEMBL12820175 0.84 MEN1 (0.35) BIRC3XIAPBIRC2MEN1TERF2
SCHEMBL12819722 0.79 XIAP (0.33) BIRC3XIAPBIRC2MEN1TERF2
SCHEMBL12820555 0.76 HDAC4 (0.35) BIRC3XIAPBIRC2HDAC4HDAC1
SCHEMBL8003495 0.75 XIAP (0.32) BIRC3XIAPBIRC2HDAC4HDAC1
SCHEMBL8001796 0.75 F2 (0.33) BIRC3XIAPBIRC2HDAC4HDAC1
SCHEMBL12820532 0.73 MEN1 (0.36) BIRC3XIAPBIRC2MEN1TERF2
SCHEMBL12820553 0.71 TERF2 (0.32) BIRC3XIAPBIRC2TERF2
SCHEMBL12820227 0.71 CCR2 (0.33) BIRC3XIAPBIRC2
SCHEMBL12820551 0.70 ADRB3 (0.31) BIRC3XIAPBIRC2
SCHEMBL12819719 0.70 ADRB3 (0.31) BIRC3XIAPBIRC2

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
WO-2011034518-A1 HCV PROTEASE INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2011-03-24 — — WO disclosed
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