SCHEMBL6589658

SCHEMBL6589658

CC1C[C@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC(C)(C)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.43
CA1 P00915 2/20 0.43
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
POLB P06746 1/20 0.38
TYR P14679 1/20 0.38
MGAM O43451 1/20 0.37
SI P14410 1/20 0.37
HTT P42858 2/20 0.36
MEN1 O00255 1/20 0.36
GALR3 O60755 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
HPN P05981 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
SIRT5 Q9NXA8 1/20 0.35

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
SCHEMBL6589660 1.00 CA2 (0.43) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL6589150 0.90 CA2 (0.34) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL6589153 0.90 CA2 (0.34) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL6589256 0.90 IGF1R (0.35) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL6589257 0.90 IGF1R (0.35) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL7064838 0.88 CA1 (0.33) CA2CA1MGAMSIGAA
SCHEMBL6590729 0.84 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2POLBTYRHTT
SCHEMBL6590732 0.84 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2POLBTYRHTT
SCHEMBL6588666 0.80 ALDH1A1 (0.35) CA2CA1ALDH1A1HTTCYP1A2
SCHEMBL6588660 0.80 ALDH1A1 (0.35) CA2CA1ALDH1A1HTTCYP1A2

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-1414887-A1 METHOD OF POLYCARBONATE PREPARATION GENERAL ELECTRIC COMPANY (US) 2004-05-06 EP disclosed
WO-2003010218-A1 METHOD OF POLYCARBONATE PREPARATION GENERAL ELECTRIC COMPANY (US) 2003-02-06 WO disclosed