SCHEMBL11737415

SCHEMBL11737415

CCOCC(C)(C)C(O)/C=C/[C@H]1CCC(=O)[C@H]1CC=CCCCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER2 P43116 9/20 0.48
▸ PTGER3 P43115 7/20 0.47
▸ PTGER4 P35408 5/20 0.47
▸ HTT P42858 1/20 0.46
▸ PTGFR P43088 3/20 0.44
▸ PTGER1 P34995 3/20 0.44
▸ TBXA2R P21731 2/20 0.44
▸ PTGIR P43119 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ NR1I2 O75469 1/20 0.43
▸ ESR1 P03372 1/20 0.43
▸ PGR P06401 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ TRPA1 O75762 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ LMNA P02545 1/20 0.40

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
SCHEMBL11737423 1.00 PTGER2 (0.48) PTGER2PTGER3PTGER4HTTPTGFR
SCHEMBL11727007 0.91 PTGER2 (0.49) PTGER2PTGER3PTGER4HTTPTGFR
SCHEMBL11596612 0.87 PTGER3 (0.59) PTGER2PTGER3PTGER4HTTPTGFR
SCHEMBL29424280 0.87 PTGER3 (0.59) PTGER2PTGER3PTGER4HTTPTGFR
SCHEMBL11599710 0.87 PTGER3 (0.59) PTGER2PTGER3PTGER4HTTPTGFR
SCHEMBL11599718 0.87 PTGER3 (0.59) PTGER2PTGER3PTGER4HTTPTGFR
SCHEMBL11599713 0.87 PTGER3 (0.59) PTGER2PTGER3PTGER4HTTPTGFR
SCHEMBL11596602 0.87 PTGER3 (0.59) PTGER2PTGER3PTGER4HTTPTGFR
SCHEMBL11596606 0.87 PTGER3 (0.59) PTGER2PTGER3PTGER4HTTPTGFR
SCHEMBL11601571 0.87 PTGER4 (0.37) PTGER2PTGER3PTGER4HTTPTGFR

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
US-4024181-A Analogues of prostanoic acids HOECHST AKTIENGESELLSCHAFT (DT) 1977-05-17 — — US claimed
US-4024181-A Analogues of prostanoic acids HOECHST AKTIENGESELLSCHAFT (DT) 1977-05-17 — — US disclosed
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