SCHEMBL4598366

SCHEMBL4598366

CCN(CC)c1ccc2cc(C(=O)OCCO)c(=O)oc2c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.80
ALDH1A1 P00352 9/20 0.68
KDM4E B2RXH2 9/20 0.68
MAPT P10636 8/20 0.68
MEN1 O00255 7/20 0.68
KMT2A Q03164 7/20 0.68
HPGD P15428 6/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
ATM Q13315 3/20 0.68
HSD17B10 Q99714 3/20 0.68
USP2 O75604 2/20 0.68
CYP1A2 P05177 1/20 0.68
CYP2C19 P33261 1/20 0.68
SLC16A3 O15427 1/20 0.68
ALOX15 P16050 1/20 0.68
SLC16A1 P53985 1/20 0.68
CYP19A1 P11511 2/20 0.57
MIF P14174 1/20 0.55
PFKFB3 Q16875 1/20 0.55
NPC1 O15118 1/20 0.53

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
SCHEMBL7722862 0.91 MAOB (0.74) MAOBALDH1A1KDM4EMAPTMEN1
SCHEMBL17597644 0.90 MAOB (0.79) MAOBALDH1A1KDM4EMAPTMEN1
SCHEMBL1772718 0.89 MAOB (1.00) MAOBALDH1A1KDM4EMAPTMEN1
SCHEMBL13432119 0.88 MAOB (0.76) MAOBALDH1A1KDM4EMAPTMEN1
SCHEMBL13840825 0.88 MAOB (0.76) MAOBALDH1A1KDM4EMAPTMEN1
SCHEMBL13232723 0.86 MAOB (0.85) MAOBALDH1A1KDM4EMAPTMEN1
SCHEMBL29816856 0.86 MAOB (0.80) MAOBALDH1A1KDM4EMAPTMEN1
SCHEMBL22923741 0.86 MAOB (0.72) MAOBALDH1A1KDM4EMAPTMEN1
SCHEMBL13609752 0.86 MAOB (0.72) MAOBALDH1A1KDM4EMAPTMEN1
SCHEMBL2911015 0.85 MAOB (0.80) MAOBALDH1A1KDM4EMAPTMEN1

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
EP-1878756-A1 Labeled tackifiers National Starch and Chemical Investment Holding Corporation (US) 2008-01-16 EP disclosed
US-20080009573-A1 Labeled tackifiers NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORP. 2008-01-10 US disclosed
US-20080009573-A1 Labeled tackifiers NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORP. 2008-01-10 US disclosed
US-20080009573-A1 Labeled tackifiers NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORP. 2008-01-10 US disclosed