SCHEMBL7489146

SCHEMBL7489146

CN1CCN(C(=O)CCC2(c3ccccc3)CC(O)=C(SCc3ccccc3)C(=O)O2)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.40
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
ADAMTS5 Q9UNA0 4/20 0.36
TSHR P16473 2/20 0.36
MMP2 P08253 1/20 0.36
MMP13 P45452 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MMP1 P03956 1/20 0.35
CHRM1 P11229 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
FKBP1A P62942 1/20 0.34
MAPT P10636 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
SCHEMBL7445180 0.94 LDHA (0.39) LDHAKMT2AHSD17B10L3MBTL1TSHR
SCHEMBL7446029 0.94 LDHA (0.39) LDHAKMT2AHSD17B10L3MBTL1ADAMTS5
SCHEMBL7444815 0.89 FKBP1A (0.47) LDHAKMT2AALDH1A1NPC1RAB9A
SCHEMBL7445853 0.89 LDHA (0.40) LDHAADAMTS5MMP2MMP13ALDH1A1
SCHEMBL7443958 0.89 LDHA (0.40) LDHAL3MBTL1ADAMTS5MMP2MMP13
SCHEMBL7449735 0.86 LDHA (0.43) LDHAHSD17B10ALDH1A1
SCHEMBL7441018 0.84 LDHA (0.41) LDHACHRM1
SCHEMBL7446712 0.84 FKBP1A (0.46) LDHANPC1RAB9ASMN1; SMN2FKBP1A
SCHEMBL7450735 0.83 SIGMAR1 (0.42) LDHAALDH1A1CHRM1
SCHEMBL7445216 0.83 FKBP1A (0.45) LDHAALDH1A1NPC1RAB9ASMN1; 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 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-0729463-A1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE DAVIS & COMPANY (US) 1996-09-04 EP disclosed
EP-0729464-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