SCHEMBL6603955

SCHEMBL6603955

O=C1CCC=C(c2ccccc2)O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 6/20 0.37
MAPT P10636 5/20 0.37
RAB9A P51151 3/20 0.37
HTT P42858 3/20 0.37
NPC1 O15118 2/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
KDM4E B2RXH2 2/20 0.35
PKM P14618 2/20 0.35
ALOX12 P18054 2/20 0.35
POLB P06746 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 3/20 0.35
CFTR P13569 1/20 0.34
GOPC Q9HD26 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
SCHEMBL3824702 0.81 MEN1 (0.35) ALDH1A1MAPTRAB9AHTTNPC1
SCHEMBL982857 0.79 SMN1; SMN2 (0.39) SMN1; SMN2MAPK1ALDH1A1MAPTRAB9A
SCHEMBL5268107 0.77 ALDH1A1 (0.42) SMN1; SMN2MAPK1ALDH1A1MAPTRAB9A
SCHEMBL7255969 0.76 CTRC (0.39) SMN1; SMN2MAPK1ALDH1A1MAPTRAB9A
SCHEMBL5267570 0.76 MAOB (0.47) SMN1; SMN2ALDH1A1RAB9ANPC1HPGD
SCHEMBL6567554 0.73 MAOA (0.42) SMN1; SMN2MAPK1ALDH1A1MAPTRAB9A
SCHEMBL8927691 0.71 CFTR (0.43) SMN1; SMN2ALDH1A1MAPTRAB9AHTT
SCHEMBL11506718 0.69 SMN1; SMN2 (0.45) SMN1; SMN2MAPK1ALDH1A1MAPTRAB9A
SCHEMBL14751602 0.68 CFTR (0.39) SMN1; SMN2MAPK1ALDH1A1MAPTRAB9A
SCHEMBL8158495 0.66 ALDH1A1 (0.36) SMN1; SMN2MAPK1ALDH1A1MAPTRAB9A

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
CN-101481369-A Method for synthesizing 4,6-substituted 3,4- dihydro-pyran-2-ketone derivative SHANGHAI INST ORGANIC CHEM (CN) 2009-07-15 CN disclosed
EP-1142887-B1 5,6-dihydropyrone derivatives as protease inhibitors and antiviral agents PARKE DAVIS & CO (US) 2004-04-07 EP disclosed
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