SCHEMBL12222349

SCHEMBL12222349

COCCOCC(COCC(=O)O)OCC(O)COc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 2/20 0.46
▸ ADRB1 P08588 2/20 0.46
▸ ADRB3 P13945 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2D6 P10635 3/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ ALOX15 P16050 1/20 0.42
▸ PLA2G4B P0C869 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ NPY1R P25929 1/20 0.40
▸ NPY2R P49146 1/20 0.40
▸ PMP22 Q01453 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 1/20 0.40

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
SCHEMBL12978498 0.91 LMNA (0.45) ADRB2ADRB1ADRB3CYP2D6CYP3A4
SCHEMBL12222347 0.86 LMNA (0.43) ADRB2ADRB1ADRB3CYP1A2CYP2D6
SCHEMBL12222339 0.83 FFAR1 (0.46) ADRB2ADRB1ADRB3CYP1A2ALOX15
SCHEMBL15870309 0.83 CYP2D6 (0.45) ADRB2ADRB1ADRB3CYP1A2CYP2D6
SCHEMBL12222360 0.83 LMNA (0.53) ADRB2ADRB1ADRB3CYP2D6CYP3A4
SCHEMBL1630189 0.81 CYP2D6 (0.43) ADRB2ADRB1ADRB3CYP1A2CYP2D6
SCHEMBL1628523 0.81 CYP2D6 (0.43) ADRB2ADRB1ADRB3CYP1A2CYP2D6
SCHEMBL12222354 0.80 PLA2G2A (0.46) ADRB2ADRB1ADRB3CYP1A2ALOX15
SCHEMBL1628873 0.79 PLA2G2A (0.45) ADRB2ADRB1ADRB3CYP1A2ALOX15
SCHEMBL1628525 0.79 PLA2G2A (0.45) ADRB2ADRB1ADRB3CYP1A2ALOX15

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367762-B2 Compositions comprising glycidyl ether copolymers BYK-CHEMIE GMBH (DE) 2013-02-05 — — US disclosed
US-20110257326-A1 COMPOSITIONS COMPRISING GLYCIDYL ETHER COPOLYMERS BYK-CHEMIE GMBH (DE) 2011-10-20 — — US disclosed
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