SCHEMBL905485

SCHEMBL905485

C=CC(C)C1C(=O)OC(C)(C)OC1=O

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.33
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL623278 0.76 PTPN1 (0.39) PTPN1ALDH1A1GLANPSR1
SCHEMBL9199320 0.69 PTPN1 (0.34) PTPN1ALDH1A1GLANPSR1
SCHEMBL8231337 0.67 GLA (0.33) PTPN1GLANPSR1
SCHEMBL22038548 0.67 GLA (0.33) PTPN1ALDH1A1GLANPSR1
SCHEMBL17070911 0.64 ALDH1A1 (0.40) PTPN1ALDH1A1GLANPSR1
SCHEMBL146063 0.63 GLA (0.37) PTPN1GLANPSR1
SCHEMBL5834741 0.63 GLA (0.42) PTPN1GLANPSR1
SCHEMBL3467380 0.62 L3MBTL1 (0.33)
SCHEMBL10261542 0.62 ESR1 (0.39) PTPN1ALDH1A1GLANPSR1
SCHEMBL8409372 0.61 GLA (0.36) PTPN1GLANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2278014-A2 Method for producing alcohol and carboxylic acid having optical activity API Corporation (JP) 2011-01-26 EP disclosed
US-20080233621-A1 Method For Producing Alcohol and Carboxylic Acid Having Optical Activity API CORPORATION (JP) 2008-09-25 US disclosed
EP-1712630-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE ALCOHOL AND CARBOXYLIC ACID API Corporation (JP) 2006-10-18 EP disclosed