SCHEMBL28702069

SCHEMBL28702069

Cc1cc(C(C)NC(=O)c2c(C(F)(F)F)nn(C)c2Oc2cccc(C(C)(F)F)c2)ccc1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 16/20 0.64
▸ PTGER2 P43116 2/20 0.60
▸ LMNA P02545 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ POLB P06746 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ KCNQ3 O43525 1/20 0.36
▸ KCNQ2 O43526 1/20 0.36

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
SCHEMBL28699763 0.92 PTGER4 (0.73) PTGER4PTGER2POLBKCNQ3KCNQ2
SCHEMBL24861822 0.90 PTGER4 (0.76) PTGER4PTGER2LMNANPSR1
SCHEMBL24861821 0.90 PTGER4 (0.76) PTGER4PTGER2LMNANPSR1
SCHEMBL28709433 0.90 PTGER4 (0.73) PTGER4PTGER2LMNANPSR1POLB
SCHEMBL24861725 0.86 PTGER4 (0.65) PTGER4PTGER2LMNANPSR1
SCHEMBL28702068 0.86 PTGER4 (0.65) PTGER4PTGER2LMNANPSR1
SCHEMBL881390 0.85 PTGER4 (0.84) PTGER4PTGER2LMNANPSR1
SCHEMBL24861726 0.85 PTGER4 (0.60) PTGER4PTGER2LMNANPSR1POLB
SCHEMBL28709264 0.83 PTGER4 (0.59) PTGER4PTGER2LMNANPSR1POLB
SCHEMBL24861927 0.83 PTGER4 (0.89) 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 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
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