SCHEMBL7445216

SCHEMBL7445216

O=C1OC(CCCCC(=O)N2CCOCC2)(c2ccccc2)CC(O)=C1SCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
USP2 O75604 1/20 0.43
HTT P42858 2/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 3/20 0.41
LDHA P00338 2/20 0.39
HPGD P15428 2/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL7446712 0.97 FKBP1A (0.46) FKBP1ASMN1; SMN2RAB9ANPC1USP2
SCHEMBL7444815 0.93 FKBP1A (0.47) FKBP1ASMN1; SMN2RAB9ANPC1USP2
SCHEMBL7440367 0.90 LDHA (0.39) RAB9ANPC1LMNALDHAMAPT
SCHEMBL7446029 0.90 LDHA (0.39) SMN1; SMN2RAB9ANPC1LMNALDHA
SCHEMBL7440990 0.90 LDHA (0.39) FKBP1ARAB9ANPC1LMNALDHA
SCHEMBL7438988 0.87 LDHA (0.39) FKBP1ASMN1; SMN2RAB9ANPC1USP2
SCHEMBL7445180 0.87 LDHA (0.39) SMN1; SMN2RAB9ANPC1LMNALDHA
SCHEMBL7436880 0.87 LDHA (0.39) FKBP1ARAB9ANPC1LMNALDHA
SCHEMBL7450659 0.86 MAPK1 (0.43) SMN1; SMN2HTTCYP3A4CYP2C19LMNA
SCHEMBL7443249 0.85 MAPK1 (0.44) SMN1; SMN2HTTCYP3A4CYP2C19LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0729463-B1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE DAVIS & CO (US) 2002-05-22 EP claimed
WO-1995014011-A2 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO claimed
EP-0729463-B1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE DAVIS & CO (US) 2002-05-22 EP disclosed
EP-1142887-A1 5,6-dihydropyrone derivatives as protease inhibitors and antiviral agents PARKE, DAVIS & COMPANY (US) 2001-10-10 EP disclosed
US-5936128-A BENZENETHIOL COMPOUNDS AS INTERMEDIATES; BACTERICIDES, VIRICIDES; HIV WARNER-LAMBERT COMPANY (US) 1999-08-10 US disclosed
US-5840751-A ADMINISTERING IN THE TREATMENT OF INFECTION OR DISEASE CAUSED BY A RETROVIRUS WARNER-LAMBERT COMPANY (US) 1998-11-24 US disclosed
US-5789440-A 5,6-dihydropyrone derivatives as protease inhibitors and antiviral agents WARNER-LAMBERT COMPANY (US) 1998-08-04 US disclosed
EP-0729464-A1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed
EP-0729463-A1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE DAVIS & COMPANY (US) 1996-09-04 EP disclosed
WO-1995014012-A1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed
WO-1995014011-A2 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed