SCHEMBL6589305

SCHEMBL6589305

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

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
GGPS1 O95749 1/20 0.30
FDPS P14324 1/20 0.30
GLRA1 P23415 1/20 0.30
IDH1 O75874 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
SCHEMBL6589306 1.00 GABRA1 (0.36) GABRA1GABRB1ALDH1A1HTTCA1
SCHEMBL6607441 0.90 CA1 (0.39) GABRA1GABRB1ALDH1A1CA1CA2
SCHEMBL6607439 0.90 CA1 (0.39) GABRA1GABRB1ALDH1A1CA1CA2
SCHEMBL6589192 0.87 ALDH1A1 (0.35) ALDH1A1HTT
SCHEMBL6589188 0.87 ALDH1A1 (0.35) ALDH1A1HTT
SCHEMBL6589099 0.84 GABRA1 (0.36) GABRA1GABRB1CA1CA2
SCHEMBL6589096 0.84 GABRA1 (0.36) GABRA1GABRB1CA1CA2
SCHEMBL7128533 0.84 GABRA1 (0.30) GABRA1GABRB1
SCHEMBL6592597 0.82 ALDH1A1 (0.33) ALDH1A1HTT
SCHEMBL6592593 0.82 ALDH1A1 (0.33) ALDH1A1HTT

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-1414888-A1 EXTRUSION METHOD FOR MAKING POLYCARBONATE GENERAL ELECTRIC COMPANY (US) 2004-05-06 EP disclosed
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
WO-2003010220-A1 EXTRUSION METHOD FOR MAKING POLYCARBONATE GENERAL ELECTRIC COMPANY (US) 2003-02-06 WO disclosed