SCHEMBL3049795

SCHEMBL3049795

COc1ccc2c(OC3CC4C(=O)NCCCC/C=C/C5CC5(C(=O)O)NC(=O)C4C3)cc(-c3ccccc3)nc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.66
▸ CTSS P25774 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ ADRB3 P13945 1/20 0.39
▸ ADRA2B P18089 1/20 0.39
▸ ADRA2C P18825 1/20 0.39
▸ TACR3 P29371 6/20 0.36
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HPGD P15428 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MITF O75030 1/20 0.34

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
SCHEMBL3049806 1.00 CTSB (0.66) CTSBCTSSKDM4EALDH1A1SMN1; SMN2
SCHEMBL8285112 1.00 CTSB (0.66) CTSBCTSSKDM4EALDH1A1SMN1; SMN2
SCHEMBL8286271 0.92 CTSB (0.62) CTSBCTSSKDM4EALDH1A1SMN1; SMN2
SCHEMBL3049467 0.92 CTSB (0.62) CTSBCTSSKDM4EALDH1A1SMN1; SMN2
SCHEMBL3049462 0.92 CTSB (0.62) CTSBCTSSKDM4EALDH1A1SMN1; SMN2
SCHEMBL8286038 0.90 CTSB (0.83) CTSBCTSSKDM4EALDH1A1SMN1; SMN2
SCHEMBL12017053 0.90 CTSB (0.81) CTSBCTSSKDM4EALDH1A1SMN1; SMN2
SCHEMBL19093889 0.90 CTSB (0.81) CTSBCTSSKDM4EALDH1A1SMN1; SMN2
SCHEMBL13385474 0.88 CTSB (0.71) CTSBCTSSKDM4EALDH1A1SMN1; SMN2
SCHEMBL8244871 0.88 CTSB (0.71) CTSBCTSSKDM4EALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7671032-B2 HCV NS-3 serine protease inhibitors MEDIVIR AB (SE) 2010-03-02 — — US claimed
US-7671032-B2 HCV NS-3 serine protease inhibitors MEDIVIR AB (SE) 2010-03-02 — — US disclosed
EP-1713823-B1 HCV NS-3 SERINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2009-11-11 — — EP disclosed
EP-1713823-A2 HCV NS-3 SERINE PROTEASE INHIBITORS Medivir Aktiebolag (SE) 2006-10-25 — — EP disclosed
WO-2005073195-A2 HCV NS-3 SERINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2005-08-11 — — WO disclosed
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