SCHEMBL1551658

SCHEMBL1551658

CC(C)(C)[C@H]1CC[C@H](CC(=O)O)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPA P38571 1/20 0.59
ANPEP P15144 1/20 0.47
ENPEP Q07075 1/20 0.47
SLC6A1 P30531 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRB2 P47870 2/20 0.41
SLC6A12 P48065 2/20 0.41
SLC6A11 P48066 2/20 0.41
SLC6A13 Q9NSD5 2/20 0.41
GABRA1 P14867 1/20 0.41
GABRR1 P24046 1/20 0.41
GABRA4 P48169 1/20 0.41
EPHX1 P07099 1/20 0.40
GLA P06280 1/20 0.39
HSD11B1 P28845 1/20 0.39
CDC25B P30305 1/20 0.36
S1PR5 Q9H228 1/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 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
SCHEMBL31534013 1.00 LIPA (0.59) LIPAANPEPENPEPSLC6A1GABRA5
SCHEMBL429535 1.00 LIPA (0.59) LIPAANPEPENPEPSLC6A1GABRA5
SCHEMBL1552198 1.00 LIPA (0.59) LIPAANPEPENPEPSLC6A1GABRA5
Acetic Acid SCHEMBL30334688 0.96 LIPA (0.56) LIPAANPEPENPEPSLC6A1GABRA5
SCHEMBL13008832 0.94 LIPA (0.54) LIPAANPEPENPEPSLC6A1GABRA5
SCHEMBL27838782 0.91 LIPA (0.51) LIPAANPEPENPEPSLC6A1GABRA5
SCHEMBL15706292 0.88 LIPA (0.47) LIPAANPEPENPEPSLC6A1GABRA5
SCHEMBL28103991 0.85 LIPA (0.44) LIPAANPEPENPEPSLC6A1GABRA5
SCHEMBL29443775 0.85 LIPA (0.46) LIPAANPEPENPEPSLC6A1GABRA5
SCHEMBL28392206 0.84 LIPA (0.61) LIPAANPEPENPEPEPHX1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014187576-A1 DEODORIZING ACTIVE INGREDIENT COMBINATION HENKEL AG & CO. KGAA (DE) 2014-11-27 WO claimed
EP-2211829-B1 IMPROVEMENT OF THE FRAGRANCE EFFECT OF PERFUME ESTERS HENKEL AG & CO KGAA (DE) 2011-04-27 EP claimed
EP-2211829-A1 IMPROVEMENT OF THE FRAGRANCE EFFECT OF PERFUME ESTERS Henkel AG & Co. KGaA (DE) 2010-08-04 EP claimed
WO-2009059858-A1 IMPROVEMENT OF THE FRAGRANCE EFFECT OF PERFUME ESTERS HENKEL AG & CO. KGAA (DE) 2009-05-14 WO claimed
EP-1948773-B1 FRAGRANT CONSUMER PRODUCTS COMPRISING OXIDIZING AGENTS HENKEL AG & CO KGAA (DE) 2016-03-30 EP disclosed
WO-2014187576-A1 DEODORIZING ACTIVE INGREDIENT COMBINATION HENKEL AG & CO. KGAA (DE) 2014-11-27 WO disclosed
EP-2211829-B1 IMPROVEMENT OF THE FRAGRANCE EFFECT OF PERFUME ESTERS HENKEL AG & CO KGAA (DE) 2011-04-27 EP disclosed
EP-2211829-A1 IMPROVEMENT OF THE FRAGRANCE EFFECT OF PERFUME ESTERS Henkel AG & Co. KGaA (DE) 2010-08-04 EP disclosed
WO-2009059858-A1 IMPROVEMENT OF THE FRAGRANCE EFFECT OF PERFUME ESTERS HENKEL AG & CO. KGAA (DE) 2009-05-14 WO disclosed
EP-1948773-A1 FRAGRANT CONSUMER PRODUCTS COMPRISING OXIDIZING AGENTS Henkel AG & Co. KGaA (DE) 2008-07-30 EP disclosed
WO-2007054177-A1 FRAGRANT CONSUMER PRODUCTS COMPRISING OXIDIZING AGENTS HENKEL AG & CO. KGAA (DE) 2007-05-18 WO disclosed
US-5403934-A Heterocyclic compounds BURROUGHS WELLCOME CO. (US) 1995-04-04 US disclosed
WO-1991013873-A1 HETEROCYCLIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1991-09-19 WO disclosed
EP-0447164-A1 Heterocyclic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1991-09-18 EP disclosed
EP-0242778-A1 Separation of diastereo isomers BAYER AG (DE) 1987-10-28 EP disclosed