SCHEMBL5164291

SCHEMBL5164291

CCCCC(C)C(C)(C)CC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.45
MAPK1 P28482 1/20 0.45
HSPD1 P10809 1/20 0.41
BLM P54132 1/20 0.41
HSPE1 P61604 1/20 0.41
CA1 P00915 3/20 0.39
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
HMGCR P04035 1/20 0.38
CHRM1 P11229 1/20 0.38
TBXA2R P21731 1/20 0.38
ADRA1A P35348 1/20 0.38
FFAR1 O14842 1/20 0.38
CPT2 P23786 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GPR84 Q9NQS5 2/20 0.37

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
SCHEMBL10794867 0.88 CHRM1 (0.41) CA2MAPK1HSPD1BLMHSPE1
SCHEMBL7800303 0.79 HMGCR (0.44) HMGCRCHRM1TBXA2RADRA1AFFAR1
SCHEMBL11655018 0.78 HSPD1 (0.44) CA2MAPK1HSPD1BLMHSPE1
SCHEMBL27560463 0.78 CTSK (0.46) CA2MAPK1CA1
SCHEMBL28912888 0.75 FFAR1 (0.39) CA2MAPK1HSPD1BLMHSPE1
SCHEMBL28657658 0.75 CA2 (0.48) CA2MAPK1CA1SLC1A3SLC1A2
SCHEMBL3745224 0.75 CA2 (0.48) CA2MAPK1CA1SLC1A3SLC1A2
Propionic Acid SCHEMBL5574450 0.74 CA2 (0.44) CA2MAPK1CA1SLC1A3SLC1A2
Ammonia Solution, Strong SCHEMBL28649684 0.74 HSPD1 (0.51) CA2HSPD1BLMHSPE1FFAR1
Ammonia Solution, Strong SCHEMBL11578501 0.74 HSPD1 (0.51) CA2HSPD1BLMHSPE1FFAR1

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
WO-2007042410-A1 DEODORIZING CLEANSING PREPARATION BEIERSDORF AG (DE) 2007-04-19 WO claimed
EP-1761618-A1 USE OF A MIXTURE OF CIS- AND TRANS-3-METHYL-G-DECALACTONE AND COMPOSITIONS OF ODORIFEROUS SUBSTANCES AND PERFUMED ARTICLES COMPRISING SAID MIXTURE Symrise GmbH & Co. KG (DE) 2007-03-14 EP disclosed
WO-2005123889-A1 USE OF A MIXTURE OF CIS- AND TRANS-3-METHYL-G-DECALACTONE AND COMPOSITIONS OF ODORIFEROUS SUBSTANCES AND PERFUMED ARTICLES COMPRISING SAID MIXTURE SYMRISE GMBH & CO. KG (DE) 2005-12-29 WO disclosed
WO-2005012222-A1 ALICYCLIC ESTER WITH MUSK FRAGRANCE SYMRISE GMBH & CO. KG (DE) 2005-02-10 WO disclosed