SCHEMBL6589188

SCHEMBL6589188

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
HTT P42858 1/20 0.35
CYP3A4 P08684 3/20 0.34
CYP2C19 P33261 2/20 0.34
LMNA P02545 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
GAA P10253 1/20 0.33
TSHR P16473 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2B6 P20813 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
CASP1 P29466 1/20 0.32
RECQL P46063 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ESR1 P03372 1/20 0.31

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
SCHEMBL6589192 1.00 ALDH1A1 (0.35) ALDH1A1HTTCYP3A4CYP2C19LMNA
SCHEMBL6592597 0.91 ALDH1A1 (0.33) ALDH1A1HTTCYP3A4CYP2C19LMNA
SCHEMBL6592593 0.91 ALDH1A1 (0.33) ALDH1A1HTTCYP3A4CYP2C19LMNA
SCHEMBL6589305 0.87 GABRA1 (0.36) ALDH1A1HTT
SCHEMBL6589256 0.87 IGF1R (0.35) ALDH1A1HTTCYP2C19CYP1A2CYP2C9
SCHEMBL6589306 0.87 GABRA1 (0.36) ALDH1A1HTT
SCHEMBL6589257 0.87 IGF1R (0.35) ALDH1A1HTTCYP2C19CYP1A2CYP2C9
SCHEMBL6589247 0.84 CRHBP (0.36) ALDH1A1HTTCYP3A4CYP2C19LMNA
SCHEMBL6589244 0.84 CRHBP (0.36) ALDH1A1HTTCYP3A4CYP2C19LMNA
SCHEMBL4126596 0.83 ALDH1A1 (0.37) ALDH1A1HTTCYP3A4CYP2C19LMNA

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