SCHEMBL6607441

SCHEMBL6607441

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
GABRA1 P14867 6/20 0.37
GABRB1 P18505 5/20 0.37
GABRB2 P47870 4/20 0.37
GLRA1 P23415 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRA4 P48169 2/20 0.33
GABRA6 Q16445 2/20 0.33
CYP3A4 P08684 3/20 0.33
CYP1A2 P05177 3/20 0.33
LMNA P02545 3/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
GAA P10253 2/20 0.33
GSR P00390 1/20 0.33
CYP2B6 P20813 1/20 0.32

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
SCHEMBL6607439 1.00 CA1 (0.39) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL6589305 0.90 GABRA1 (0.36) CA1CA2GABRA1GABRB1GLRA1
SCHEMBL6589099 0.90 GABRA1 (0.36) CA1CA2GABRA1GABRB1
SCHEMBL6589096 0.90 GABRA1 (0.36) CA1CA2GABRA1GABRB1
SCHEMBL6589306 0.90 GABRA1 (0.36) CA1CA2GABRA1GABRB1GLRA1
SCHEMBL7066720 0.88 FDPS (0.31) CYP3A4CYP1A2LMNAALDH1A1CYP2C9
SCHEMBL7064838 0.88 CA1 (0.33) CA1CA2GAA
SCHEMBL7128533 0.87 GABRA1 (0.30) GABRA1GABRB1
SCHEMBL7066660 0.86 HSP90AB1 (0.31) GABRA1GABRB1GABRB2GABRA5GABRA3
SCHEMBL19031721 0.84 LMNA (0.36) GABRA1GABRB2CYP3A4CYP1A2LMNA

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