SCHEMBL27995017

SCHEMBL27995017

CCC(O)([CH]c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
CYP2C19 P33261 3/20 0.36
CHRM3 P20309 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
KCNN4 O15554 1/20 0.36
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
S1PR4 O95977 1/20 0.35
S1PR1 P21453 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HIF1A Q16665 1/20 0.34
MEN1 O00255 1/20 0.34
CYP2D6 P10635 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL5618223 0.78 KMT2A (0.41) KDM4ECYP2C19CHRM3CYP1A2CYP2C9
SCHEMBL4740511 0.78 KDM4E (0.42) KDM4ECYP2C19CHRM3CYP1A2CYP2C9
SCHEMBL10839660 0.78 KMT2A (0.41) KDM4ECYP2C19CHRM3CYP1A2CYP2C9
SCHEMBL10838108 0.78 KMT2A (0.41) KDM4ECYP2C19CHRM3CYP1A2CYP2C9
SCHEMBL19148446 0.78 KDM4E (0.42) KDM4ECYP2C19CHRM3CYP1A2CYP2C9
SCHEMBL3073246 0.77 MEN1 (0.41) CYP1A2CYP2C9KMT2AALDH1A1LMNA
SCHEMBL31303668 0.76 KDM4E (0.41) KDM4ECYP2C19CHRM3CYP1A2CYP2C9
SCHEMBL14910749 0.75 KCNN4 (0.39) CYP2C19KCNN4KMT2AALDH1A1HIF1A
SCHEMBL31303617 0.73 KDM4E (0.35) KDM4ECYP2C19CHRM3CYP1A2CYP2C9
SCHEMBL6599306 0.72 KDM4E (0.42) KDM4ECYP2C19CYP1A2CYP2C9KCNN4

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
CN-104870418-A Preparation of dihydroxy aromatic compounds by alcoholysis of polycarbonate compositions containing flame retardants SAUDI BASIC IND CORP 2015-08-26 CN disclosed
CN-104718238-A Manufacture of dihydroxy aromatic compounds by alcoholysis of polycarbonate-containing compositions SAUDI BASIC IND CORP 2015-06-17 CN disclosed
CN-104684978-A Method for alcoholysis of acrylonitrile-butadiene-styrene-containing polycarbonate compositions SAUDI BASIC IND CORP 2015-06-03 CN disclosed
CN-104684880-A Method for alcoholysis of polycarbonate compositions comprising flame retardants or acrylonitrile-butadiene-styrene SAUDI BASIC IND CORP 2015-06-03 CN disclosed