SCHEMBL6437112

SCHEMBL6437112

O=C1CCC(CO)N1CCCCCl

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.39
PTGER3 P43115 5/20 0.39
PTGER2 P43116 4/20 0.39
PDK2 Q15119 2/20 0.38
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
BRD4 O60885 1/20 0.33

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
SCHEMBL3682030 1.00 PTGER4 (0.39) PTGER4PTGER3PTGER2PDK2MEN1
SCHEMBL1712647 0.84 PDK2 (0.41) PTGER4PTGER3PTGER2PDK2MEN1
SCHEMBL14092774 0.83 PTGER4 (0.53) PTGER4PTGER3PTGER2MEN1POLB
SCHEMBL3429111 0.83 PTGER4 (0.38) PTGER4PTGER3PTGER2PDK2MEN1
SCHEMBL6195462 0.81 PTGER4 (0.37) PTGER4PTGER3PTGER2PDK2MEN1
SCHEMBL6195464 0.81 PTGER4 (0.37) PTGER4PTGER3PTGER2PDK2MEN1
SCHEMBL1712652 0.80 PDK2 (0.39) PTGER4PTGER3PTGER2PDK2MEN1
SCHEMBL11624805 0.80 PTGER4 (0.59) PTGER4PTGER3PTGER2
SCHEMBL1712920 0.79 PDK2 (0.39) PTGER4PTGER3PTGER2PDK2MEN1
SCHEMBL3679883 0.78 PTGER4 (0.41) PTGER4PTGER3PTGER2PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1453503-A4 EP4 RECEPTOR AGONIST, COMPOSITIONS AND METHODS THEREOF MERCK & CO INC (US) 2005-03-30 EP disclosed
EP-1513589-A1 1,5-DISUBSTITUTED PYRROLID-2-ONE DERIVATIVES FOR USE AS EP4 RECEPTOR AGONISTS IN THE TREATMENT OF EYE DISEASES SUCH AS GLAUCOMA MERCK FROSST CANADA INC. (CA) 2005-03-16 EP disclosed
EP-1453503-A2 EP4 RECEPTOR AGONIST, COMPOSITIONS AND METHODS THEREOF Merck & Co., Inc. (US) 2004-09-08 EP disclosed
WO-2003103772-A1 1,5-DISTRIBUTED PYRROLID-2-ONE DERIVATIVES FOR USE AS EP4 RECEPTOR AGONISTS IN THE TEATMENT OF EYE DISEASES SUCH AS GLAUCOMA MERCK FROSST CANADA & CO. (CA) 2003-12-18 WO disclosed
WO-2003047417-A2 EP4 RECEPTOR AGONIST, COMPOSITIONS AND METHODS THEREOF MERCK & CO., INC. (US) 2003-06-12 WO disclosed