SCHEMBL7601951

SCHEMBL7601951

CCCC1(C(CC#C[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)CC(=O)[C@@H]2C/C=C\CCCC(=O)O)O[Si](C)(C)C(C)(C)C)CCC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 8/20 0.44
PTGER3 P43115 4/20 0.44
PTGIR P43119 4/20 0.38
PTGER4 P35408 2/20 0.38
NR1I2 O75469 1/20 0.38
ESR1 P03372 1/20 0.38
PGR P06401 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
TBXA2R P21731 1/20 0.38
MAPK1 P28482 1/20 0.38
PTGER1 P34995 1/20 0.38
OPRK1 P41145 1/20 0.38
PTGFR P43088 1/20 0.38
PDE4D Q08499 1/20 0.38
HTT P42858 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
SCHEMBL7591263 0.91 PTGER3 (0.34) PTGER2PTGER3
SCHEMBL7177850 0.86 PTGER3 (0.32) PTGER2PTGER3
SCHEMBL7582636 0.84 PTGER2 (0.46) PTGER2PTGER3PTGIRPTGER4NR1I2
SCHEMBL7172727 0.76 PTGER2 (0.57) PTGER2PTGER3PTGIRPTGER4NR1I2
SCHEMBL7584898 0.76 PTGER2 (0.57) PTGER2PTGER3PTGIRPTGER4NR1I2
SCHEMBL7584493 0.75 PTGER2 (0.45) PTGER2PTGER3PTGIRPTGER4
SCHEMBL7585974 0.75 PTGER2 (0.52) PTGER2PTGER3PTGIRPTGER4NR1I2
SCHEMBL7593540 0.73 TRPA1 (0.55) PTGER2PTGER3PTGIRHPGD
SCHEMBL7200047 0.73 PTGIR (0.36) PTGER2PTGER3PTGIRPTGER4NR1I2
SCHEMBL7590855 0.72 PTGER2 (0.49) PTGER2PTGER3PTGIRPTGER4HPGD

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-0860430-B1 Omega-cycloalkyl-prostaglandin E2 derivatives ONO PHARMACEUTICAL CO (JP) 2002-06-12 EP disclosed
EP-0860430-A2 Omega-cycloalkyl-prostaglandin E2 derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1998-08-26 EP disclosed