SCHEMBL20182722

SCHEMBL20182722

COC(=O)OCc1cc(C)cc(C)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 12/20 0.54
PARP10 Q53GL7 1/20 0.44
EGFR P00533 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CACNA1F O60840 1/20 0.42
CACNA1D Q01668 1/20 0.42
CACNA1S Q13698 1/20 0.42
CACNA1C Q13936 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
SLC7A5 Q01650 1/20 0.41
HDAC8 Q9BY41 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL3913061 0.82 TOP2A (0.39) TACR1HTTKMT2A
SCHEMBL25455666 0.82 POLB (0.57) TACR1KMT2APOLB
SCHEMBL25509839 0.80 NPC1 (0.51) KMT2A
SCHEMBL9686081 0.79 ALDH1A1 (0.55) TACR1PARP10EGFR
SCHEMBL5971176 0.79 ALDH1A1 (0.55) TACR1PARP10EGFR
SCHEMBL9163809 0.78 TACR1 (0.49) TACR1PARP10EGFRPOLB
SCHEMBL28268333 0.78 TACR1 (0.46) TACR1PARP10EGFRHDAC8KMT2A
SCHEMBL31348981 0.78 ALDH1A1 (0.53) TACR1PARP10EGFRKMT2A
SCHEMBL586545 0.78 PARP10 (0.53) TACR1PARP10EGFRCACNA1FCACNA1D
SCHEMBL3439662 0.76 CA12 (0.50) TACR1PARP10EGFRSLC7A5KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3541778-B1 ELECTROCHEMICAL METHOD FOR THE PRODUCTION OF ARYLALKYLCARBONATES AND DIARYL CARBONATES COVESTRO INTELLECTUAL PROPERTY GMBH & CO KG (DE) 2021-05-19 EP disclosed
WO-2018091370-A1 ELECTROCHEMICAL METHOD FOR PRODUCING ARYL ALKYL CARBONATES AND DIARYL CARBONATES COVESTRO DEUTSCHLAND AG (DE) 2018-05-24 WO disclosed