SCHEMBL5758935

SCHEMBL5758935

CCOC(=O)CCc1ccc(OCOC)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.50
CYP4A11 Q02928 1/20 0.50
ADRB3 P13945 2/20 0.46
PPARG P37231 1/20 0.43
CDK8 P49336 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
CYP4Z1 Q86W10 1/20 0.41
GLA P06280 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
P2RY12 Q9H244 1/20 0.41
FFAR1 O14842 2/20 0.40
FFAR4 Q5NUL3 2/20 0.40
HPGD P15428 1/20 0.40
P2RX3 P56373 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 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
SCHEMBL22000638 0.87 CYP4F2 (0.55) CYP4F2CYP4A11ADRB3CDK8CLK4
SCHEMBL2349901 0.85 CYP4F2 (0.50) CYP4F2CYP4A11CYP4Z1PDE3BPDE3A
SCHEMBL901639 0.81 CYP4F2 (0.61) CYP4F2CYP4A11CDK8CLK4CYP4Z1
SCHEMBL11023962 0.80 CYP4F2 (0.45) CYP4F2CYP4A11ADRB3GLAP2RX3
SCHEMBL6035695 0.80 APP (0.59) SMN1; SMN2MAPTFFAR1FFAR4HPGD
SCHEMBL2500529 0.78 CYP4F2 (0.46) CYP4F2CYP4A11ADRB3CDK8CLK4
SCHEMBL16972780 0.78 CYP4F2 (0.62) CYP4F2CYP4A11CYP4Z1GLAMAPT
SCHEMBL3734531 0.78 CYP4F2 (0.58) CYP4F2CYP4A11CYP4Z1SMN1; SMN2PDE3B
SCHEMBL11357708 0.77 ADRB3 (0.47) CYP4F2CYP4A11ADRB3PPARGGLA
SCHEMBL901787 0.77 CYP4F2 (0.56) CYP4F2CYP4A11CYP4Z1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1270571-B1 Heterocyclic compounds, their production and use TAKEDA PHARMACEUTICAL (JP) 2006-09-06 EP disclosed
EP-1270571-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-01-02 EP disclosed
CN-1349990-A Heterocyclic compound, its preparation and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-05-22 CN disclosed
CN-1077107-C Heterocyclic compounds, their preparation and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-01-02 CN disclosed
US-6211215-B1 AROMATIC HETEROCYCLIC COMPOUND WITH AZOLE COMPOUND TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-03 US disclosed
CN-1223653-A Heterocyclic compounds, their preparation and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-07-21 CN disclosed