SCHEMBL30754114

SCHEMBL30754114

COC(=O)c1ccc(CCN2C(=O)CCN2CCC(=O)c2cccc(-c3ccc(O)cc3C)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 18/20 0.45
PTGER2 P43116 17/20 0.41
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
CYP2C19 P33261 1/20 0.37
CKS1B P61024 1/20 0.37
SKP2 Q13309 1/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL30754092 0.91 PTGER4 (0.42) PTGER4PTGER2
SCHEMBL30754111 0.91 PTGER4 (0.50) PTGER4PTGER2
SCHEMBL30754098 0.85 PTGER4 (0.48) PTGER4PTGER2
SCHEMBL30754102 0.82 PTGER2 (0.54) PTGER4PTGER2
SCHEMBL30754089 0.82 PTGER2 (0.54) PTGER4PTGER2
SCHEMBL30754105 0.79 PTGER4 (0.41) PTGER4PTGER2
SCHEMBL30754094 0.79 PTGER4 (0.45) PTGER4PTGER2
SCHEMBL30754093 0.79 PTGER4 (0.45) PTGER4PTGER2
SCHEMBL4077381 0.79 PTGER4 (0.43) PTGER4PTGER2
SCHEMBL30754084 0.77 PTGER4 (0.47) PTGER4PTGER2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4565565-A1 1,2-SUBSTITUTED 3-OXOPYRAZOLIDINE DERIVATIVES AS PROSTAGLANDIN E2 RECEPTOR 4 (EP4) AGONISTS FOR THE TREATMENT OF GASTROINTESTINAL AND PULMONARY DISEASES Nxera Pharma UK Limited (GB) 2025-06-11 EP disclosed
WO-2024028601-A1 1,2-SUBSTITUTED 3-OXOPYRAZOLIDINE DERIVATIVES AS PROSTAGLANDIN E2 RECEPTOR 4 (EP4) AGONISTS FOR THE TREATMENT OF GASTROINTESTINAL AND PULMONARY DISEASES HEPTARES THERAPEUTICS LIMITED (GB) 2024-02-08 WO disclosed