SCHEMBL4581773

SCHEMBL4581773

CC(CO)OC(=O)CCC(c1ccc(O)cc1)c1ccc(O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
ESR1 P03372 5/20 0.36
ESR2 Q92731 4/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MITF O75030 1/20 0.35
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
APP P05067 1/20 0.34
TLR2 O60603 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
Propylene Glycol SCHEMBL5088694 0.76 NAALAD2 (0.44) CNR1CNR2CA2ESR1ESR2
SCHEMBL4581736 0.75 CNR1 (0.40) CNR1CNR2ESR1ESR2MEN1
SCHEMBL223316 0.73 NAALAD2 (0.53) CNR1CNR2CA2ESR1ESR2
SCHEMBL5712403 0.72 MAPT (0.42) CNR1CNR2CA12CA1CA2
SCHEMBL10770937 0.71 KMT2A (0.45) CA12CA1CA2CA7CA9
SCHEMBL2838336 0.70 CA12 (0.67) CA12CA1CA2CA7CA9
Propionic Acid SCHEMBL11111085 0.70 NAALAD2 (0.48) CNR1CNR2CA2ESR1ESR2
SCHEMBL4582124 0.70 CNR1 (0.46) CNR1CNR2CA2ESR1ESR2
SCHEMBL2538851 0.70 TBXAS1 (0.47) CNR1CNR2CA2ESR1ESR2
SCHEMBL1134608 0.69 EGLN1 (0.43) LMNACYP1A2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312349-A1 METHOD OF MAKING AND USING MEMBRANE GENERAL ELECTRIC COMPANY (US) 2008-12-18 US disclosed
US-20080203012-A1 MEMBRANE, APPARATUS, AND ASSOCIATED METHOD GENERAL ELECTRIC COMPANY (US) 2008-08-28 US disclosed
US-20080207822-A1 COMPOSITION AND ASSOCIATED METHOD GENERAL ELECTRIC COMPANY (US) 2008-08-28 US disclosed