SCHEMBL127622

SCHEMBL127622

O=C(O)CCCC=CC[C@H]1C(=O)C[C@@H](O)[C@@H]1C=CC(O)CCc1cc2ccccc2s1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 5/20 0.63
PTGFR P43088 5/20 0.63
PTGER4 P35408 9/20 0.62
PTGER1 P34995 3/20 0.62
PTGER2 P43116 2/20 0.62
PTGIR P43119 2/20 0.62
NR1I2 O75469 1/20 0.62
ESR1 P03372 1/20 0.62
PGR P06401 1/20 0.62
HPGD P15428 1/20 0.62
TSHR P16473 1/20 0.62
TBXA2R P21731 1/20 0.62
MAPK1 P28482 1/20 0.62
OPRK1 P41145 1/20 0.62
PDE4D Q08499 1/20 0.62
MGLL Q99685 1/20 0.59
MEN1 O00255 1/20 0.50
THRB P10828 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL127621 1.00 PTGER3 (0.63) PTGER3PTGFRPTGER4PTGER1PTGER2
SCHEMBL127623 1.00 PTGER3 (0.63) PTGER3PTGFRPTGER4PTGER1PTGER2
SCHEMBL1348173 0.96 PTGER4 (0.63) PTGER3PTGFRPTGER4PTGER1PTGER2
SCHEMBL1348165 0.96 PTGER4 (0.63) PTGER3PTGFRPTGER4PTGER1PTGER2
SCHEMBL1348171 0.96 PTGER4 (0.63) PTGER3PTGFRPTGER4PTGER1PTGER2
SCHEMBL126529 0.88 MGLL (0.52) PTGER3PTGFRPTGER4PTGER1PTGER2
SCHEMBL126530 0.88 MGLL (0.52) PTGER3PTGFRPTGER4PTGER1PTGER2
SCHEMBL126531 0.88 MGLL (0.52) PTGER3PTGFRPTGER4PTGER1PTGER2
SCHEMBL1347778 0.87 PTGER3 (0.62) PTGER3PTGFRPTGER4PTGER1PTGER2
SCHEMBL1347773 0.87 PTGER3 (0.62) PTGER3PTGFRPTGER4PTGER1PTGER2

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
EP-1390036-B1 PROSTANOIC ACID DERIVATIVES AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE ALLERGAN INC (US) 2012-03-07 EP claimed