SCHEMBL3490658

SCHEMBL3490658

CCCCCCCC1(CO)CC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.43
SIRT2 Q8IXJ6 1/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL4359771 0.98 GAA (0.40) GAASIRT2LMNAALDH1A1HSD17B10
SCHEMBL11775068 0.89 SIRT2 (0.42) GAASIRT2LMNAALDH1A1HSD17B10
SCHEMBL11779345 0.89 SIRT2 (0.42) GAASIRT2LMNAALDH1A1HSD17B10
SCHEMBL11607014 0.89 SIRT2 (0.42) GAASIRT2LMNAALDH1A1HSD17B10
SCHEMBL8413376 0.89 SIRT2 (0.42) GAASIRT2LMNAALDH1A1HSD17B10
SCHEMBL11773588 0.89 SIRT2 (0.42) GAASIRT2LMNAALDH1A1HSD17B10
SCHEMBL773239 0.87 OPRM1 (0.40) MEN1KMT2A
SCHEMBL2233403 0.86 SIRT2 (0.40) GAASIRT2LMNAALDH1A1HSD17B10
SCHEMBL798410 0.86 OPRM1 (0.38) GAASIRT2
SCHEMBL28008290 0.85 TSHR (0.47) LMNAALDH1A1HSD17B10MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754675-B2 2-heptylcyclopropyl-1-carboxylic acid SYMRISE GMBH & CO. KG (DE) 2010-07-13 US disclosed
US-20060128603-A1 2-heptylcyclopropyl-1-carboxylic acid SYMRISE GMBH & CO. KG (DE) 2006-06-15 US disclosed
EP-1565423-B1 2-HEPTYLCYCLOPROPYL-1-CARBOXYLIC ACID SYMRISE GMBH & CO KG (DE) 2006-06-07 EP disclosed
EP-1565423-A1 2-HEPTYLCYCLOPROPYL-1-CARBOXYLIC ACID Symrise GmbH & Co. KG (DE) 2005-08-24 EP disclosed
WO-2004046079-A1 2-HEPTYLCYCLOPROPYL-1-CARBOXYLIC ACID SYMRISE GMBH & CO. KG (DE) 2004-06-03 WO disclosed