SCHEMBL22276296

SCHEMBL22276296

COC(=O)C12CC(C3(NC(=O)c4cccc5ccn(Cc6ccc(-c7ccccn7)cn6)c45)CC3)(C1)C2

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.34
PTGER1 P34995 1/20 0.34
PTGER4 P35408 1/20 0.34
PTGFR P43088 1/20 0.34
PTGER3 P43115 1/20 0.34
PTGER2 P43116 1/20 0.34
PTGDR Q13258 1/20 0.34
GRM5 P41594 2/20 0.33
TLR7 Q9NYK1 3/20 0.32
P2RX7 Q99572 1/20 0.32
MMP1 P03956 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
ADAM17 P78536 1/20 0.31
AXL P30530 1/20 0.31
PIN1 Q13526 1/20 0.30
ABL1 P00519 1/20 0.30
BCR P11274 1/20 0.30

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
SCHEMBL31070929 1.00 TBXA2R (0.34) TBXA2RPTGER1PTGER4PTGFRPTGER3
SCHEMBL22276145 0.91 PTGER4 (0.37) TBXA2RPTGER1PTGER4PTGFRPTGER3
SCHEMBL22276285 0.91 PTGER4 (0.37) TBXA2RPTGER1PTGER4PTGFRPTGER3
SCHEMBL29402821 0.91 PTGER4 (0.37) TBXA2RPTGER1PTGER4PTGFRPTGER3
SCHEMBL22276339 0.84 PTGER4 (0.37) TBXA2RPTGER1PTGER4PTGFRPTGER3
SCHEMBL22276163 0.83 PTGER4 (0.39) TBXA2RPTGER1PTGER4PTGFRPTGER3
SCHEMBL22276251 0.83 PTGER4 (0.42) TBXA2RPTGER1PTGER4PTGFRPTGER3
SCHEMBL22276332 0.82 FLT1 (0.37) TBXA2RPTGER1PTGER4PTGFRPTGER3
SCHEMBL22276242 0.82 PTGER4 (0.39) TBXA2RPTGER1PTGER4PTGFRPTGER3
SCHEMBL22276143 0.81 PTGER4 (0.39) TBXA2RPTGER1PTGER4PTGFRPTGER3

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-3889134-A1 COMPOUND FOR INHIBITING PGE2/EP4 SIGNALING TRANSDUCTION INHIBITING, PREPARATION METHOD THEREFOR, AND MEDICAL USES THEREOF Keythera (Suzhou) Pharmaceuticals Co. Ltd. (CN) 2021-10-06 EP disclosed
WO-2020151566-A1 COMPOUND FOR INHIBITING PGE2/EP4 SIGNALING TRANSDUCTION INHIBITING, PREPARATION METHOD THEREFOR, AND MEDICAL USES THEREOF 凯复制药有限公司 2020-07-30 WO disclosed