SCHEMBL9599771

SCHEMBL9599771

CCCCc1cn2ccccc2c1S(=O)(=O)c1ccc(O)cc1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
APLNR P35414 14/20 0.39
ESR1 P03372 1/20 0.38
PTGS2 P35354 1/20 0.38
RAPGEF4 Q8WZA2 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
SCHEMBL9599595 0.93 RAPGEF4 (0.38) APLNRESR1PTGS2RAPGEF4
SCHEMBL9599177 0.90 RAPGEF4 (0.41) APLNRESR1PTGS2RAPGEF4
SCHEMBL9598325 0.82 TSHR (0.41) PTGS2
SCHEMBL9597622 0.81 ENPP1 (0.38) APLNR
Oxalic Acid SCHEMBL9598423 0.78 HRH3 (0.48)
SCHEMBL9598092 0.78 RAPGEF4 (0.49) ESR1RAPGEF4
Oxalic Acid SCHEMBL9599488 0.78 HRH3 (0.45)
Oxalic Acid SCHEMBL9599270 0.76 POLB (0.45)
SCHEMBL9598706 0.75 RAPGEF4 (0.39) ESR1RAPGEF4
SCHEMBL9597826 0.74 ALK (0.41) ESR1RAPGEF4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5182291-A Angina pectoris, hypotensive, antiarrhythmia, cerebral vascular insufficiency SANOFI (FR) 1993-01-26 US disclosed
US-5147878-A Hypotensive, antiarrhythmia agents SANOFI (FR) 1992-09-15 US disclosed
US-5039700-A Cardiovascular disorders, antitumor agents SANOFI (FR) 1991-08-13 US disclosed
US-5017579-A Use of aminoalkoxyphenyl derivatives for reducing and/or controlling excessive intraocular pressure SANOFI (FR) 1991-05-21 US disclosed
US-4957925-A HYPOTENSIVE AGENTS, ANTIARRHYTHMIA AGENTS, TREATMENT OF ANGINA SANOFI (FR) 1990-09-18 US disclosed