SCHEMBL11289573

SCHEMBL11289573

OCC1Oc2ccccc2OC1CCl

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.32
POLB P06746 1/20 0.32
PARP1 P09874 1/20 0.32
CA2 P00918 2/20 0.32
HTT P42858 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
DRD1 P21728 1/20 0.31
TBXA2R P21731 1/20 0.31
SLC6A2 P23975 1/20 0.31
ADRA1A P35348 1/20 0.31
DRD3 P35462 1/20 0.31
NISCH Q9Y2I1 1/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 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
SCHEMBL10977242 0.89 CA2 (0.36) POLBCA2HTTHTR1AADRA2A
SCHEMBL10980338 0.89 CA2 (0.36) POLBCA2HTTHTR1AADRA2A
SCHEMBL10975287 0.76 CA2 (0.44) POLBCA2LMNAMAPTSMN1; SMN2
SCHEMBL10975682 0.76 CA2 (0.44) POLBCA2LMNAMAPTSMN1; SMN2
SCHEMBL9526092 0.71 AHR (0.41) CA2ADRA1A
SCHEMBL4333283 0.70 CA2 (0.45) POLBPARP1CA2HTTHTR1A
SCHEMBL3632741 0.70 CA2 (0.45) POLBPARP1CA2HTTLMNA
SCHEMBL7621497 0.69 ABCB1 (0.38) HTR1AADRA2ADRD1TBXA2RSLC6A2
SCHEMBL9481539 0.67 CA2 (0.38) CA2ADRA1A
SCHEMBL9482152 0.67 CA2 (0.38) CA2ADRA1A

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
US-4309349-A Stereospecific process for preparing epoxybenzodioxans CIBA-GEIGY CORPORATION (US) 1982-01-05 US disclosed
US-4261907-A Stereospecific process CIBA-GEIGY CORPORATION (US) 1981-04-14 US disclosed
US-4212808-A CONDENSING 2,3-BIS-HALOMETHYLOXIRANE AND SLATS OR CATECHOL CIBA-GEIGY CORPORATION (US) 1980-07-15 US disclosed