SCHEMBL9525691

SCHEMBL9525691

CC(=O)c1ccc2c(c1)C(c1cccc[n+]1[O-])=CC(C)(c1ccccc1)O2

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 2/20 0.39
ABCC8 Q09428 2/20 0.39
KCNJ11 Q14654 2/20 0.39
KCNJ8 Q15842 2/20 0.39
S100A4 P26447 1/20 0.33
RARA P10276 1/20 0.32
RARB P10826 1/20 0.32
RARG P13631 1/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
AKR1B10 O60218 1/20 0.30
AKR1B1 P15121 1/20 0.30
AKR1C4 P17516 1/20 0.30
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30
AKR1C1 Q04828 1/20 0.30

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
SCHEMBL9527906 0.88 ABCC9 (0.40) ABCC9ABCC8KCNJ11KCNJ8S100A4
SCHEMBL9524878 0.77 SYK (0.39) S100A4KDM4EMEN1ALDH1A1KMT2A
SCHEMBL9523802 0.77 RARA (0.40) ABCC9ABCC8KCNJ11KCNJ8RARA
SCHEMBL9476598 0.76 S100A4 (0.34) ABCC9ABCC8KCNJ11KCNJ8S100A4
SCHEMBL9524480 0.76 S100A4 (0.35) ABCC9ABCC8KCNJ11KCNJ8S100A4
SCHEMBL8310500 0.72 ABCC9 (0.39) ABCC9ABCC8KCNJ11KCNJ8MEN1
SCHEMBL9525790 0.70 ABCC9 (0.41) ABCC9ABCC8KCNJ11KCNJ8RARA
SCHEMBL9475663 0.70 ALOX5 (0.34) ABCC9ABCC8KCNJ11KCNJ8RARA
SCHEMBL9527732 0.69 ABCC9 (0.41) ABCC9ABCC8KCNJ11KCNJ8RARA
SCHEMBL8335425 0.68 ABCC9 (0.43) ABCC9ABCC8KCNJ11KCNJ8

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
EP-0298452-B1 2H-1-BENZOPYRANE DERIVATIVES SUBSTITUTED IN POSITION 4 BY ARYL OR N-HETEROARYL F. HOFFMANN-LA ROCHE AG (CH) 1993-06-30 EP claimed
US-5118694-A Hypotensive agents; treatment for cardiovascular and muscular disorders HOFFMANN-LA ROCHE INC. (US) 1992-06-02 US disclosed
US-4971982-A HYPOTENSIVE AGENTS, CARDIOVASCULAR DISORDERS, SMOOTH MUSCLE DISORDERS HOFFMANN-LA ROCHE INC. (US) 1990-11-20 US disclosed