SCHEMBL11073302

SCHEMBL11073302

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

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
GRN P28799 1/20 0.33
SORT1 Q99523 1/20 0.33
GABRR1 P24046 2/20 0.31
RNPEP Q9H4A4 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
PTGS1 P23219 1/20 0.31
CYP1A2 P05177 1/20 0.31
SLC7A5 Q01650 1/20 0.31

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
SCHEMBL5891398 0.80 TP53 (0.35) TP53GRNSORT1GABRR1RNPEP
SCHEMBL5539684 0.79 GABRR1 (0.44) TP53GRNSORT1GABRR1RNPEP
SCHEMBL250969 0.79 GABRR1 (0.44) TP53GRNSORT1GABRR1RNPEP
SCHEMBL16749901 0.79 GABRR1 (0.44) TP53GRNSORT1GABRR1RNPEP
SCHEMBL10065566 0.78 SLC1A3 (0.35) TP53GRNSORT1GABRR1RNPEP
SCHEMBL22396499 0.77 GABRR1 (0.42) TP53GRNSORT1GABRR1ALDH1A1
SCHEMBL11485696 0.76 CYP2C19 (0.43) TP53GRNSORT1ALDH1A1CYP1A2
SCHEMBL15917738 0.76 SLC7A5 (0.48) GABRR1ALDH1A1MAPTPTGS1SLC7A5
SCHEMBL1239580 0.76 SLC7A5 (0.32) TP53GRNSORT1SLC7A5
SCHEMBL21612875 0.76 SLC7A5 (0.48) GABRR1ALDH1A1MAPTPTGS1SLC7A5

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
EP-3750866-B1 METHOD FOR MANUFACTURING ALCOHOL MADE OF HYDROCARBONS EVONIK OPERATIONS GMBH (DE) 2022-02-09 EP disclosed
EP-3750865-A1 METHOD FOR THE PREPARATION OF CARBOXYLIC ACIDS OR THEIR SALTS FROM HYDROCARBONS Evonik Operations GmbH (DE) 2020-12-16 EP disclosed
EP-3750620-A1 METHOD OF PRODUCING AN ESTER BY MEANS OF ALCOXYCARBONYLATION Evonik Operations GmbH (DE) 2020-12-16 EP disclosed
EP-3750866-A1 METHOD FOR MANUFACTURING ALCOHOL MADE OF HYDROCARBONS Evonik Operations GmbH (DE) 2020-12-16 EP disclosed
EP-0032294-B1 SOLID CATALYST COMPONENT FOR OLEFIN POLYMERIZATION Himont Incorporated (US) 1985-05-15 EP disclosed