SCHEMBL6173742

SCHEMBL6173742

CC[C@@H](CC(=O)Cl)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.47
GABBR1 Q9UBS5 1/20 0.47
MAPT P10636 1/20 0.46
LMNA P02545 3/20 0.46
POLB P06746 1/20 0.46
CCR5 P51681 1/20 0.42
ATM Q13315 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
KCNQ2 O43526 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40

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
SCHEMBL6173747 1.00 GABBR2 (0.47) GABBR2GABBR1MAPTLMNAPOLB
SCHEMBL6175652 1.00 GABBR2 (0.47) GABBR2GABBR1MAPTLMNAPOLB
SCHEMBL3056242 0.88 GABBR2 (0.53) GABBR2GABBR1MAPTLMNAATM
SCHEMBL240789 0.84 GABBR2 (0.66) GABBR2GABBR1MAPTLMNAPOLB
SCHEMBL6174106 0.84 GABBR2 (0.66) GABBR2GABBR1MAPTLMNAPOLB
SCHEMBL2484805 0.84 GABBR2 (0.66) GABBR2GABBR1MAPTLMNAPOLB
Hypochlorous Acid SCHEMBL11415854 0.83 LMNA (0.56) GABBR2GABBR1LMNAPOLBCCR5
SCHEMBL1500385 0.82 GABBR2 (0.48) GABBR2GABBR1MAPTLMNAPOLB
SCHEMBL6722503 0.82 GABBR2 (0.48) GABBR2GABBR1MAPTLMNAPOLB
SCHEMBL7565444 0.81 HDAC8 (0.42) GABBR2GABBR1MAPTLMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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