SCHEMBL6589256

SCHEMBL6589256

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

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.35
CISD1 Q9NZ45 1/20 0.35
CA2 P00918 2/20 0.34
CA1 P00915 1/20 0.34
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 2/20 0.31
HTT P42858 1/20 0.31
POLB P06746 1/20 0.30
TYR P14679 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL6589257 1.00 IGF1R (0.35) IGF1RCISD1CA2CA1MGAM
SCHEMBL6589658 0.90 CA2 (0.43) CA2CA1MGAMSICYP1A2
SCHEMBL6589660 0.90 CA2 (0.43) CA2CA1MGAMSICYP1A2
SCHEMBL6589192 0.87 ALDH1A1 (0.35) CYP1A2CYP2C9CYP2C19ALDH1A1HTT
SCHEMBL6589188 0.87 ALDH1A1 (0.35) CYP1A2CYP2C9CYP2C19ALDH1A1HTT
SCHEMBL6589150 0.84 CA2 (0.34) CA2CA1MGAMSICYP1A2
SCHEMBL6589153 0.84 CA2 (0.34) CA2CA1MGAMSICYP1A2
SCHEMBL6592593 0.82 ALDH1A1 (0.33) CYP1A2CYP2C9CYP2C19ALDH1A1HTT
SCHEMBL6592597 0.82 ALDH1A1 (0.33) CYP1A2CYP2C9CYP2C19ALDH1A1HTT
SCHEMBL7064838 0.82 CA1 (0.33) CA2CA1MGAMSI

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-2003010220-A1 EXTRUSION METHOD FOR MAKING POLYCARBONATE GENERAL ELECTRIC COMPANY (US) 2003-02-06 WO disclosed
WO-2003010218-A1 METHOD OF POLYCARBONATE PREPARATION GENERAL ELECTRIC COMPANY (US) 2003-02-06 WO disclosed