SCHEMBL29545846

SCHEMBL29545846

O=C(O)c1ccc2c(c1)CCCC(c1ccc(F)cc1F)=C2OS(=O)(=O)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 8/20 0.43
MAPK14 Q16539 1/20 0.40
ALDH1A1 P00352 1/20 0.39
SRD5A1 P18405 4/20 0.39
SRD5A2 P31213 4/20 0.39
ESR1 P03372 5/20 0.38
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RORC P51449 1/20 0.35

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
SCHEMBL24362670 0.90 MAPK14 (0.44) PTGER1MAPK14ALDH1A1RORC
SCHEMBL29545551 0.90 MAPK14 (0.44) PTGER1MAPK14ALDH1A1RORC
SCHEMBL29545802 0.82 PTGS2 (0.41) MAPK14ALDH1A1ESR1RORC
SCHEMBL24357559 0.82 PTGS2 (0.41) MAPK14ALDH1A1ESR1RORC
SCHEMBL30596785 0.77 PTGS2 (0.37) PTGER1
SCHEMBL31249054 0.76 SRD5A2 (0.53) SRD5A1SRD5A2ESR1
SCHEMBL12074171 0.74 MAPK14 (0.40) MAPK14ALDH1A1ESR1
SCHEMBL24362672 0.73 MAPK14 (0.43) PTGER1MAPK14ALDH1A1
SCHEMBL23528104 0.73 PTGS2 (0.39) MAPK14ALDH1A1SRD5A1SRD5A2ESR1
SCHEMBL29545398 0.73 PTGS2 (0.39) MAPK14ALDH1A1SRD5A1SRD5A2ESR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4508032-A1 NOVEL SUBSTITUTED FLUORINATED VINYL-N-PROPYL-PYRROLIDINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF Sanofi (FR) 2025-02-19 EP disclosed
WO-2023198905-A1 NOVEL SUBSTITUTED FLUORINATED VINYL-N-PROPYL-PYRROLIDINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF SANOFI (FR) 2023-10-19 WO disclosed
EP-4228757-A1 SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS AND THEIR DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF Sanofi (FR) 2023-08-23 EP disclosed
WO-2022084298-A1 SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS AND THEIR DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF SANOFI (FR) 2022-04-28 WO disclosed