SCHEMBL6177937

SCHEMBL6177937

CCC(Cc1ccccc1)c1cc(O)cc(=O)o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
APEX1 P27695 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSD17B3 P37058 2/20 0.39
GLA P06280 1/20 0.39
CYP3A4 P08684 1/20 0.39
TRPA1 O75762 1/20 0.38
IGLV6-57 P01721 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
MIF P14174 1/20 0.36
ADRB2 P07550 3/20 0.36

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
SCHEMBL8116892 0.78 CYP2C9 (0.49) MEN1KMT2APOLBGLACYP3A4
SCHEMBL7444125 0.78 SLC6A2 (0.40) MEN1KMT2APOLBMAPTAPEX1
SCHEMBL7445413 0.75 CYP2C9 (0.40) ESR1ESR2POLBMAPTTRPA1
SCHEMBL7485149 0.73 CYP2C9 (0.48) MEN1KMT2AESR1ESR2MAPT
SCHEMBL6175609 0.73 CYP2C9 (0.54) MEN1KMT2AMTNR1AMTNR1BCYP2C9
SCHEMBL6173602 0.73 CYP2C9 (0.54) MEN1KMT2AMTNR1AMTNR1BCYP2C9
SCHEMBL6174948 0.73 CYP2C9 (0.54) MEN1KMT2AMTNR1AMTNR1BCYP2C9
SCHEMBL6174912 0.73 CYP2C9 (0.54) MEN1KMT2AMTNR1AMTNR1BCYP2C9
SCHEMBL6175124 0.73 CYP2C9 (0.54) MEN1KMT2AMTNR1AMTNR1BCYP2C9
SCHEMBL9199293 0.72 HTR2B (0.43) POLBMAPTHSD17B3GLA

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-0668860-A1 PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES PHARMACIA & UPJOHN COMPANY (US) 1995-08-30 EP claimed
WO-1994011361-A1 PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES THE UPJOHN COMPANY (US) 1994-05-26 WO claimed
EP-1203770-B1 Pyran-2-ones and 5,6-dihydropyran-2-ones useful for treating hyperplasia and other diseases UPJOHN CO (US) 2005-03-09 EP disclosed
EP-0668860-B1 PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES UPJOHN CO (US) 2002-09-11 EP disclosed
EP-1203770-A1 Pyran-2-ones and 5,6-dihydropyran-2-ones useful for treating hyperplasia and other diseases PHARMACIA & UPJOHN COMPANY (US) 2002-05-08 EP disclosed
US-6169181-B1 HUMAN IMMUNODEFICIENCY VIRUS PROTEINASE INHIBITORS PHARMACIA & UPJOHN COMPANY 2001-01-02 US disclosed
US-5852195-A Pyranone compounds useful to treat retroviral infections PHARMACIA & UPJOHN COMPANY (US) 1998-12-22 US disclosed
EP-0758327-A1 PYRANONE COMPOUNDS USEFUL TO TREAT RETROVIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1997-02-19 EP disclosed
WO-1995030670-A2 PYRANONE COMPOUNDS USEFUL TO TREAT RETROVIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1995-11-16 WO disclosed
EP-0668860-A1 PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES PHARMACIA & UPJOHN COMPANY (US) 1995-08-30 EP disclosed
WO-1994011361-A1 PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES THE UPJOHN COMPANY (US) 1994-05-26 WO disclosed