SCHEMBL5967917

SCHEMBL5967917

CNC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 4/20 0.60
▸ CTSS P25774 4/20 0.60
▸ CTSK P43235 6/20 0.59
▸ CTSB P07858 5/20 0.59
▸ CASP3 P42574 2/20 0.58
▸ CA2 P00918 1/20 0.58
▸ CA5A P35218 1/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ LMNA P02545 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ CA1 P00915 1/20 0.56
▸ CTSD P07339 1/20 0.55
▸ CASP1 P29466 1/20 0.55
▸ CASP7 P55210 1/20 0.55
▸ CASP9 P55211 1/20 0.55
▸ CASP6 P55212 1/20 0.55
▸ CASP8 Q14790 1/20 0.55
▸ ATM Q13315 1/20 0.54

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
SCHEMBL13888701 1.00 CTSL (0.60) CTSLCTSSCTSKCTSBCASP3
SCHEMBL12588646 0.97 CASP3 (0.59) CTSLCTSSCTSKCTSBCASP3
SCHEMBL13888699 0.97 CASP3 (0.59) CTSLCTSSCTSKCTSBCASP3
SCHEMBL12588645 0.97 CASP3 (0.59) CTSLCTSSCTSKCTSBCASP3
SCHEMBL5967873 0.91 ECE1 (0.55) CTSLCTSSCTSKCTSBCASP3
SCHEMBL25693730 0.90 CTSS (0.73) CTSLCTSSCTSKCTSBMEN1
SCHEMBL19557810 0.89 CASP3 (0.61) CTSLCTSSCTSKCTSBCASP3
SCHEMBL10453618 0.89 CASP3 (0.61) CTSLCTSSCTSKCTSBCASP3
SCHEMBL8658774 0.88 MEN1 (0.74) CTSLCTSSCTSKCTSBCASP3
SCHEMBL13888698 0.88 MEN1 (0.74) CTSLCTSSCTSKCTSBCASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023178299-A1 PRODRUGS OF GANAXOLONE MARINUS PHARMACEUTICALS, INC. (US) 2023-09-21 — — WO disclosed
WO-2023118961-A1 ANTIBODY DRUG CONJUGATES COMPRISING TOXINS WITH POLAR GROUPS AND USES THEREOF INTOCELL, INC. (KR) 2023-06-29 — — WO disclosed
EP-1647545-A1 Antiviral protease inhibitors MEDIVIR AB (SE) 2006-04-19 — — EP disclosed
EP-1005493-B1 ANTIVIRAL PROTEASE INHIBITORS MEDIVIR AB (SE) 2005-11-02 — — EP disclosed
US-6489364-B2 FROM L-MANNONIC-GAMMA-LACTONE INTERMEDIATES; FOR PROPHYLAXIS OF HIV/AIDS HIV MEDIVIR AB (SE) 2002-12-03 — — US disclosed
US-6291687-B1 USED ASPARTYL PROTEASE INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS (HIV) MEDIVIR AB (SE) 2001-09-18 — — US disclosed
EP-1005493-A1 ANTIVIRAL PROTEASE INHIBITORS MEDIVIR AB (SE) 2000-06-07 — — EP disclosed
WO-1998045330-A1 ANTIVIRAL PROTEASE INHIBITORS MEDIVIR AB (SE) 1998-10-15 — — WO disclosed
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