SCHEMBL3346580

SCHEMBL3346580

CC(O)C(O)C(CO)Oc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
KDM4E B2RXH2 1/20 0.38
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
CYP2D6 P10635 1/20 0.37
ADRB3 P13945 1/20 0.37
TRPA1 O75762 3/20 0.36
CYP1A2 P05177 1/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
PKM P14618 1/20 0.36
CYP2C19 P33261 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
NISCH Q9Y2I1 1/20 0.36

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
SCHEMBL9141117 0.89 LMNA (0.47) LMNAMTNR1AMTNR1BKDM4EADRB2
SCHEMBL21628316 0.87 TRPA1 (0.43) LMNAMTNR1AMTNR1BKDM4EADRB2
SCHEMBL18346393 0.83 LMNA (0.37) LMNAMTNR1AMTNR1BCYP2C9CYP2C19
SCHEMBL17896199 0.82 TRPA1 (0.44) LMNAMTNR1AMTNR1BKDM4ETRPA1
SCHEMBL14653108 0.82 TRPA1 (0.44) LMNAMTNR1AMTNR1BKDM4ETRPA1
SCHEMBL19758123 0.82 TRPA1 (0.44) LMNAMTNR1AMTNR1BKDM4ETRPA1
SCHEMBL7987487 0.82 ALDH1A1 (0.44) LMNAMTNR1AMTNR1BPKMALDH1A1
SCHEMBL15602760 0.82 LMNA (0.39) LMNAMTNR1AMTNR1BTRPA1MAPT
SCHEMBL2026912 0.80 TDP1 (0.43) LMNAMTNR1AMTNR1BMAPTALDH1A1
SCHEMBL8661904 0.78 LMNA (0.42) LMNACYP2D6TRPA1ALDH1A1

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
WO-2010052729-A1 INK COMPOSITION AND A BALL POINT PEN COMPRISING THE SAME SHAH MANISH BABULAL (IN) 2010-05-14 WO claimed
WO-2010052728-A1 PRESSURIZED INK COMPOSITIONS AND A BALL POINT PEN COMPRISING THE SAME SHAH MANISH BABULAL (IN) 2010-05-14 WO claimed
WO-2010052729-A1 INK COMPOSITION AND A BALL POINT PEN COMPRISING THE SAME SHAH MANISH BABULAL (IN) 2010-05-14 WO disclosed
WO-2010052728-A1 PRESSURIZED INK COMPOSITIONS AND A BALL POINT PEN COMPRISING THE SAME SHAH MANISH BABULAL (IN) 2010-05-14 WO disclosed