SCHEMBL28708481

SCHEMBL28708481

CCc1cccc(Oc2c(C(=O)NC(C)c3ccc(C(=O)OC)cc3)c(C)nn2C)c1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 11/20 0.64
PTGER2 P43116 1/20 0.51
ACACB O00763 1/20 0.42
ACACA Q13085 1/20 0.42
PHGDH O43175 5/20 0.40
PDE2A O00408 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL24861965 1.00 PTGER4 (0.64) PTGER4PTGER2ACACBACACAPHGDH
SCHEMBL28690240 0.93 PTGER4 (0.74) PTGER4PTGER2PHGDH
SCHEMBL24861863 0.93 PTGER4 (0.74) PTGER4PTGER2PHGDH
SCHEMBL24861966 0.92 PTGER4 (0.62) PTGER4PTGER2ACACBACACAPHGDH
SCHEMBL26416723 0.91 PTGER4 (0.69) PTGER4PTGER2ACACBACACAPDE2A
SCHEMBL26416646 0.89 PTGER4 (0.66) PTGER4PTGER2PHGDHPDE2ALMNA
SCHEMBL28702062 0.89 PTGER4 (0.71) PTGER4PTGER2ACACBACACAPHGDH
SCHEMBL26418497 0.89 PTGER4 (0.71) PTGER4PTGER2ACACBACACAPHGDH
SCHEMBL30331095 0.89 PTGER4 (0.71) PTGER4PTGER2ACACBACACAPHGDH
SCHEMBL28708484 0.87 PTGER4 (0.61) PTGER4PTGER2PHGDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113354585-A Synthesis of novel EP4 antagonists and their use in cancer and inflammation 湖北生物医药产业技术研究院有限公司 2021-09-07 CN disclosed