SCHEMBL20135925

SCHEMBL20135925

Cc1cc(C)c(CCOC(=O)O)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.38
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NLRP3 Q96P20 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
GPR17 Q13304 1/20 0.36
TPMT P51580 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL13034096 0.85 RAD52 (0.46) HRH3KDM4EALDH1A1SMN1; SMN2NLRP3
SCHEMBL1999146 0.83 HRH3 (0.37) HRH3KDM4EALDH1A1SMN1; SMN2NLRP3
SCHEMBL31470812 0.81 RAD52 (0.40) KDM4EALDH1A1SMN1; SMN2NLRP3MAPT
SCHEMBL20135918 0.80 KDM4E (0.38) KDM4EALDH1A1SMN1; SMN2NLRP3POLB
P-Xylene SCHEMBL11040150 0.74 L3MBTL1 (0.50) ALDH1A1SMN1; SMN2POLBL3MBTL1TDP1
SCHEMBL3807694 0.74 HRH3 (0.45) HRH3KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL14988768 0.74 NPSR1 (0.57) HRH3KDM4EPOLBMAPTGPR17
SCHEMBL3670255 0.72 FABP4 (0.50) KDM4ESMN1; SMN2POLBMAPTGPR17
SCHEMBL2767651 0.72 RAD52 (0.45) KDM4EALDH1A1SMN1; SMN2TSHRTDP1
SCHEMBL11392001 0.71 GPR17 (0.42) HRH3KDM4EALDH1A1POLBMAPT

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
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
EP-3541778-A1 ELECTROCHEMICAL METHOD FOR PRODUCING ARYL ALKYL CARBONATES AND DIARYL CARBONATES Covestro Deutschland AG (DE) 2019-09-25 EP disclosed
WO-2018091370-A1 ELECTROCHEMICAL METHOD FOR PRODUCING ARYL ALKYL CARBONATES AND DIARYL CARBONATES COVESTRO DEUTSCHLAND AG (DE) 2018-05-24 WO disclosed
EP-3321250-A1 ELECTROCHEMICAL METHOD FOR THE PRODUCTION OF ARYLALKYLCARBONATES AND DIARYL CARBONATES Covestro Deutschland AG (DE) 2018-05-16 EP disclosed