SCHEMBL9762669

SCHEMBL9762669

CC(C)COC(=O)Oc1ccc2c3ccc(Br)c4c(OC(=O)O)ccc(c5ccc(Br)c1c52)c43

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.34
TSHR P16473 2/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
XDH P47989 1/20 0.30
PKM P14618 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CACNA1F O60840 1/20 0.30
CACNA1D Q01668 1/20 0.30
CACNA1S Q13698 1/20 0.30
CACNA1C Q13936 1/20 0.30
TYMS P04818 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
SCHEMBL10716870 0.82 TYMS (0.43) CA2TSHRALDH1A1SMN1; SMN2LMNA
SCHEMBL17502197 0.75 XDH (0.40) XDH
SCHEMBL17502196 0.75 XDH (0.40) XDH
SCHEMBL28853637 0.72 ALDH1A1 (0.54) CA2TSHRALDH1A1SMN1; SMN2CACNA1F
SCHEMBL29958486 0.72 ALDH1A1 (0.54) CA2TSHRALDH1A1SMN1; SMN2CACNA1F
SCHEMBL29958608 0.72 ALDH1A1 (0.54) CA2TSHRALDH1A1SMN1; SMN2CACNA1F
SCHEMBL10823825 0.72 ALDH1A1 (0.54) CA2TSHRALDH1A1SMN1; SMN2CACNA1F
SCHEMBL16039855 0.72 PTGER1 (0.40) TSHRSMN1; SMN2LMNAL3MBTL1CACNA1F
SCHEMBL28853640 0.71 ALDH1A1 (0.49) TSHRALDH1A1SMN1; SMN2XDHCACNA1F
SCHEMBL10823826 0.71 ALDH1A1 (0.49) TSHRALDH1A1SMN1; SMN2XDHCACNA1F

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-0264543-B1 PERYLENE DERIVATIVES BASF Aktiengesellschaft (DE) 1991-04-03 EP disclosed
EP-0156997-B1 PROCESS FOR THE CONCENTRATION OF LIGHT IN A PLANE SURFACE BASF Aktiengesellschaft (DE) 1988-07-20 EP disclosed
EP-0264543-A2 Perylene derivatives BASF Aktiengesellschaft (DE) 1988-04-27 EP disclosed
EP-0156997-A1 Process for the concentration of light in a plane surface BASF Aktiengesellschaft (DE) 1985-10-09 EP disclosed