SCHEMBL7436880

SCHEMBL7436880

O=C1OC(CCCC(=O)N2CCNCC2)(c2ccccc2)CC(O)=C1SCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.39
NPC1 O15118 2/20 0.34
RAB9A P51151 1/20 0.34
KDM1A O60341 1/20 0.34
TPSAB1 Q15661 4/20 0.33
TPSD1 Q9BZJ3 4/20 0.33
TPSG1 Q9NRR2 4/20 0.33
FKBP1A P62942 1/20 0.33
MMP2 P08253 4/20 0.33
MMP13 P45452 4/20 0.33
ADAMTS5 Q9UNA0 2/20 0.33
PLAU P00749 1/20 0.33
PRSS1 P07477 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MMP9 P14780 3/20 0.33
MMP8 P22894 3/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL7440367 0.97 LDHA (0.39) LDHANPC1RAB9ATPSAB1TPSD1
SCHEMBL7443958 0.94 LDHA (0.40) LDHANPC1FKBP1AMMP2MMP13
SCHEMBL7446712 0.90 FKBP1A (0.46) LDHANPC1RAB9AFKBP1ALMNA
SCHEMBL7438988 0.89 LDHA (0.39) LDHANPC1RAB9AFKBP1ATDP1
SCHEMBL7445180 0.89 LDHA (0.39) LDHANPC1RAB9AKDM1AALDH1A1
SCHEMBL7445216 0.87 FKBP1A (0.45) LDHANPC1RAB9AFKBP1ATDP1
SCHEMBL7440990 0.86 LDHA (0.39) LDHANPC1RAB9AFKBP1AMMP2
SCHEMBL7446029 0.86 LDHA (0.39) LDHANPC1RAB9AMMP2MMP13
SCHEMBL7448804 0.86 SIGMAR1 (0.42) LDHANPC1RAB9AALDH1A1LMNA
SCHEMBL7444106 0.85 SIGMAR1 (0.41) LDHANPC1RAB9AALDH1A1LMNA

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