SCHEMBL9587407

SCHEMBL9587407

CC1(C)C=C(n2ccccc2=O)c2cc(Cl)ccc2C1=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.36
SLC6A9 P48067 1/20 0.35
F10 P00742 9/20 0.35
PPOX P50336 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
MAPT P10636 2/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
PGR P06401 1/20 0.33

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
SCHEMBL9587505 0.86 SLC6A9 (0.33) SLC6A9F10SLC6A2SLC6A4SLC6A3
SCHEMBL9590341 0.85 GFER (0.36)
SCHEMBL9587001 0.84 CA1 (0.39) PGR
SCHEMBL9589242 0.84 CA1 (0.39) S100A4F10MAPT
SCHEMBL9589861 0.82 ALDH1A1 (0.42) MAPT
SCHEMBL9590296 0.82 CA1 (0.43) F10MAPT
SCHEMBL9588974 0.81 KMT2A (0.42) MAPT
SCHEMBL9588325 0.81 ABCC9 (0.41) F10MAPT
SCHEMBL6369766 0.81 ABCC9 (0.50) F10PGR
SCHEMBL9587437 0.81 ABCC9 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5272170-A Tetralones with pharmacological activity J. URIACH & CIA., S.A. (ES) 1993-12-21 US disclosed
US-5208246-A Hypotensive, bronchodilator J. URIACH & CIA. (ES) 1993-05-04 US disclosed
EP-0489300-A2 Tetralones with pharmacological activity J. URIACH & CIA. S.A. (ES) 1992-06-10 EP disclosed