SCHEMBL6586417

SCHEMBL6586417

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
CYP3A4 P08684 2/20 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
TTR P02766 1/20 0.32
TSHR P16473 1/20 0.32
RECQL P46063 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2B6 P20813 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
THRB P10828 1/20 0.31
HTT P42858 1/20 0.30
NR1I2 O75469 1/20 0.30
ABCB11 O95342 1/20 0.30
P2RX5 Q93086 1/20 0.30
P2RX4 Q99571 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
SCHEMBL6586422 1.00 ALDH1A1 (0.34) ALDH1A1CYP3A4CYP2C19LMNACYP1A2
SCHEMBL6592376 0.91 ALDH1A1 (0.32) ALDH1A1CYP3A4CYP2C19LMNACYP1A2
SCHEMBL6592372 0.91 ALDH1A1 (0.32) ALDH1A1CYP3A4CYP2C19LMNACYP1A2
SCHEMBL6589153 0.87 CA2 (0.34) ALDH1A1CYP2C19CYP1A2CYP2C9
SCHEMBL6589150 0.87 CA2 (0.34) ALDH1A1CYP2C19CYP1A2CYP2C9
SCHEMBL6589096 0.87 GABRA1 (0.36)
SCHEMBL6589099 0.87 GABRA1 (0.36)
SCHEMBL19031705 0.83 LMNA (0.37) ALDH1A1CYP3A4CYP2C19LMNACYP1A2
SCHEMBL6588666 0.82 ALDH1A1 (0.35) ALDH1A1CYP3A4CYP2C19LMNACYP1A2
SCHEMBL6588660 0.82 ALDH1A1 (0.35) ALDH1A1CYP3A4CYP2C19LMNACYP1A2

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