SCHEMBL6904284

SCHEMBL6904284

O=C1c2ccccc2CC1(CCl)CCl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.64
NPSR1 Q6W5P4 2/20 0.64
HTT P42858 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
PRNP P04156 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
HTR2A P28223 4/20 0.38
HTR2C P28335 4/20 0.38
HTR2B P41595 4/20 0.38
SIGMAR1 Q99720 4/20 0.38
DRD2 P14416 2/20 0.38
ALDH1A1 P00352 3/20 0.38
POLB P06746 1/20 0.38
CES1 P23141 1/20 0.38
MAOA P21397 1/20 0.38
TSHR P16473 1/20 0.37
TDP2 O95551 1/20 0.36
CASP3 P42574 1/20 0.36
CASP7 P55210 1/20 0.36

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
SCHEMBL29448052 0.81 NPSR1 (0.64) LMNANPSR1HTTL3MBTL1PRNP
SCHEMBL15630925 0.81 LMNA (0.64) LMNANPSR1HTTL3MBTL1PRNP
SCHEMBL9172913 0.81 NPSR1 (0.64) LMNANPSR1HTTL3MBTL1PRNP
SCHEMBL9286065 0.78 LMNA (0.65) LMNANPSR1HTTL3MBTL1PRNP
SCHEMBL28802227 0.78 NPSR1 (1.00) LMNANPSR1HTTL3MBTL1PRNP
SCHEMBL13253339 0.75 NPSR1 (0.57) LMNANPSR1HTTL3MBTL1PRNP
SCHEMBL4463201 0.74 NPSR1 (0.50) LMNANPSR1HTTL3MBTL1KDM4E
SCHEMBL9171286 0.71 NPSR1 (0.47) LMNANPSR1HTTL3MBTL1PRNP
SCHEMBL9164056 0.71 NPSR1 (0.47) LMNANPSR1HTTL3MBTL1HTR2A
SCHEMBL11931712 0.70 LMNA (0.54) LMNANPSR1HTTL3MBTL1PRNP

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-1013641-B1 Acylation agent HALDOR TOPSOE AS (DK) 2004-11-24 EP disclosed
EP-1013641-A2 Acylation agent Haldor Topsoe A/S (DK) 2000-06-28 EP disclosed