SCHEMBL28619681

SCHEMBL28619681

COC(=O)c1ccc(C(C)NC(=O)c2c(C(F)(F)F)nn3c2N(c2cccc(C(F)(F)F)c2)CC3)cc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 12/20 0.46
▸ PTGER2 P43116 2/20 0.45
▸ ACACB O00763 2/20 0.44
▸ GPR139 Q6DWJ6 1/20 0.39
▸ PHGDH O43175 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ NPSR1 Q6W5P4 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
SCHEMBL18758716 1.00 PTGER4 (0.46) PTGER4PTGER2ACACBGPR139PHGDH
SCHEMBL29894128 0.93 PTGER4 (0.47) PTGER4PTGER2ACACB
SCHEMBL18758537 0.93 PTGER4 (0.47) PTGER4PTGER2ACACB
SCHEMBL28624098 0.93 PTGER4 (0.47) PTGER4PTGER2ACACB
SCHEMBL18740052 0.92 PTGER4 (0.53) PTGER4PTGER2ACACB
SCHEMBL18740050 0.92 PTGER4 (0.53) PTGER4PTGER2ACACB
SCHEMBL18758566 0.90 PTGER4 (0.42) PTGER4PTGER2
SCHEMBL28922411 0.90 PTGER4 (0.42) PTGER4PTGER2
SCHEMBL18758724 0.86 BRD4 (0.45) PTGER4ACACBNPSR1
SCHEMBL28961686 0.86 BRD4 (0.45) PTGER4ACACBNPSR1

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-108473497-B EP4 antagonists 卫材R&D 管理有限公司 2021-09-10 — — CN disclosed
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