SCHEMBL9599393

SCHEMBL9599393

O=S(=O)(c1ccc(O)cc1)c1c(C2CCCCC2)cn2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.38
FFAR2 O15552 5/20 0.36
PTGS2 P35354 1/20 0.36
MIF P14174 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
RAPGEF4 Q8WZA2 1/20 0.33
EPHX2 P34913 1/20 0.33
APLNR P35414 3/20 0.32
CAMKK1 Q8N5S9 1/20 0.32
CAMKK2 Q96RR4 1/20 0.32
HTR6 P50406 1/20 0.31

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
SCHEMBL9598092 0.76 RAPGEF4 (0.49) ESR1RAPGEF4HTR6
SCHEMBL9657015 0.76 HRH3 (0.47)
SCHEMBL9599177 0.75 RAPGEF4 (0.41) ESR1PTGS2RAPGEF4APLNR
SCHEMBL9599556 0.74 KDM4E (0.42) ESR1LMNAHTTRAPGEF4HTR6
SCHEMBL9598706 0.73 RAPGEF4 (0.39) ESR1RAPGEF4HTR6
SCHEMBL9599595 0.71 RAPGEF4 (0.38) ESR1PTGS2RAPGEF4APLNR
SCHEMBL9566294 0.69 CA12 (0.44) PTGS2LMNAHTTHTR6
SCHEMBL8248875 0.69 ALDH1A1 (0.35) PTGS2CAMKK1CAMKK2
SCHEMBL8248942 0.67 HRH3 (0.42) PTGS2CAMKK1CAMKK2
SCHEMBL8651607 0.67 GAA (0.42) ESR1PTGS2LMNARAPGEF4

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