SCHEMBL6950808

SCHEMBL6950808

CC(C)c1ccccc1SC(=O)CC(=O)Sc1ccccc1C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GABRA1 P14867 3/20 0.41
GABRB2 P47870 2/20 0.41
MDM4 O15151 1/20 0.39
TP53 P04637 1/20 0.39
MDM2 Q00987 1/20 0.39
CETP P11597 1/20 0.39
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
FAAH O00519 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
GABRB1 P18505 1/20 0.38

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
SCHEMBL8539098 0.84 TSHR (0.50) KMT2AMDM4TP53MDM2CETP
SCHEMBL10585500 0.81 CA1 (0.53) LMNAGAAKMT2AGABRA1GABRB2
SCHEMBL7265720 0.79 GABRA1 (0.42) LMNAGAAKMT2AGABRA1GABRB2
SCHEMBL4735455 0.76 GABRA1 (0.39) LMNAGAAKMT2AGABRA1GABRB2
SCHEMBL6954168 0.75 GABRA1 (0.44) KMT2ASMN1; SMN2GABRA1GABRB2MDM4
SCHEMBL8536457 0.75 MAPT (0.42) LMNASMN1; SMN2HPGDTSHRL3MBTL1
SCHEMBL8538646 0.73 ACHE (0.50) LMNAKMT2ASMN1; SMN2GABRA1GABRB2
SCHEMBL21332905 0.73 CYP1A2 (0.56) LMNAGAAKMT2ASMN1; SMN2CYP1A2
SCHEMBL11867815 0.71 ALDH1A1 (0.49) LMNAGAAKMT2ASMN1; SMN2CYP1A2
SCHEMBL8536411 0.71 IDO1 (0.54) GAAKMT2ASMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0729465-B1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE DAVIS & CO (US) 2003-01-22 EP disclosed
US-6005103-A TREATMENT OF BACTERIAL AND VIRAL INFECTIONS AND DISEASES, INCLUDING AIDS WARNER-LAMBERT COMPANY (US) 1999-12-21 US disclosed
US-5808062-A AIDS THERAPY WARNER-LAMBERT COMPANY (US) 1998-09-15 US disclosed
EP-0729466-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed
EP-0729465-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed
WO-1995014013-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed
WO-1995014014-A2 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed