SCHEMBL6557189

SCHEMBL6557189

O=C(O)c1ccc(C(=O)OCC2CCCC(CO)C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
CHRNB2 P17787 5/20 0.41
CHRNA4 P43681 5/20 0.41
CHRNB4 P30926 2/20 0.41
CHRNA3 P32297 2/20 0.41
CHRNA7 P36544 3/20 0.40
CHRNA5 P30532 2/20 0.40
MAP4K4 O95819 1/20 0.40
MAPT P10636 1/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
JMJD6 Q6NYC1 1/20 0.39
PARP15 Q460N3 1/20 0.38
PARP10 Q53GL7 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
KMT2A Q03164 1/20 0.38

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
Terephthalic Acid SCHEMBL6557198 0.86 KMT2A (0.46) MAP4K4PARP15PARP10PARP2KMT2A
SCHEMBL87784 0.85 DRD2 (0.48) DRD2DRD4CHRNB2CHRNA4CHRNB4
SCHEMBL7604221 0.83 CHRNB2 (0.55) DRD2DRD4CHRNB2CHRNA4CHRNB4
SCHEMBL2296496 0.83 DRD2 (0.49) DRD2DRD4CHRNB2CHRNA4CHRNB4
Ethylene Glycol SCHEMBL16245510 0.82 DRD2 (0.46) DRD2DRD4CHRNB2CHRNA4CHRNB4
SCHEMBL9548164 0.81 DRD2 (0.52) DRD2DRD4CHRNB2CHRNA4CHRNA7
Benzoic Acid SCHEMBL7604226 0.80 DAO (0.50) KMT2A
SCHEMBL10939284 0.79 KMT2A (0.46) MAPTPARP15PARP10KMT2A
SCHEMBL12928566 0.79 JMJD6 (0.42) DRD2DRD4CHRNB2CHRNA4CHRNB4
SCHEMBL9579862 0.78 DRD2 (0.49) DRD2DRD4CHRNB2CHRNA4CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1276802-B1 LIQUID STABILIZING MIXTURES FOR ORGANIC POLYMERS GREAT LAKES CHEMICAL EUROP (CH) 2004-03-03 EP disclosed