SCHEMBL9814080

SCHEMBL9814080

COc1c(C)c(C)c(C)c(Br)c1OC

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.42
CA4 P22748 4/20 0.42
CA1 P00915 2/20 0.42
CA6 P23280 2/20 0.42
PTPN1 P18031 1/20 0.41
IMPDH2 P12268 3/20 0.33
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
PPARG P37231 1/20 0.31
NCOA2 Q15596 1/20 0.31
NCOA1 Q15788 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
PTGS1 P23219 1/20 0.30
PTGS2 P35354 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
SCHEMBL8250446 0.94 CA2 (0.42) CA2CA4CA1CA6PTPN1
SCHEMBL17772634 0.92 CA2 (0.39) CA2CA4CA1CA6PTPN1
SCHEMBL1275689 0.86 CA2 (0.44) CA2CA4CA1CA6PTPN1
SCHEMBL14098922 0.86 CA2 (0.39) CA2CA4CA1CA6PTPN1
SCHEMBL11268433 0.82 CA2 (0.40) CA2CA4CA1CA6PTPN1
SCHEMBL27279613 0.82 ACHE (0.38) ALDH1A1SMN1; SMN2
SCHEMBL27911882 0.80 CA2 (0.50) CA2CA4CA1CA6PTPN1
SCHEMBL1783863 0.80 CA2 (0.39) CA2CA4CA1CA6PTPN1
SCHEMBL9070629 0.79 CA2 (0.42) CA2CA4CA1CA6PTPN1
SCHEMBL2495732 0.78 ACHE (0.36) ALDH1A1SMN1; SMN2

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-0304777-B1 PROCESS FOR THE PREPARATION OF CHROMAN DERIVATIVES OR OF D-ALPHA-TOCOPHEROL F. HOFFMANN-LA ROCHE AG (CH) 1991-09-04 EP disclosed
US-4958035-A Process for synthesizing chromanes HOFFMANN-LA ROCHE INC. (US) 1990-09-18 US disclosed
US-4876369-A Process for synthesizing chromanes HOFFMANN-LA ROCHE INC. (US) 1989-10-24 US disclosed
EP-0304777-A2 Process for the preparation of chroman derivatives or of d-alpha-tocopherol F. HOFFMANN-LA ROCHE AG (CH) 1989-03-01 EP disclosed