SCHEMBL9524585

SCHEMBL9524585

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
DRD4 P21917 5/20 0.35
MAPT P10636 3/20 0.35
HTT P42858 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
TSHR P16473 2/20 0.35
TRPA1 O75762 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NISCH Q9Y2I1 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
SCHEMBL9524652 0.89 KDM4E (0.35) KDM4EDRD4TRPV1
SCHEMBL9524946 0.88 HTR1A (0.34) DRD4MAPTSMN1; SMN2TSHRMEN1
SCHEMBL9525763 0.87 ABCC9 (0.38) ALDH1A1NPSR1HPGDDRD4MAPT
SCHEMBL9524905 0.84 DRD4 (0.33) NPSR1DRD4MAPTRAB9ANPC1
SCHEMBL9525115 0.82 DRD4 (0.33) DRD4MAPTSMN1; SMN2TSHRKCNA5
SCHEMBL9523970 0.82 DRD4 (0.33) DRD4
SCHEMBL9525177 0.82 ALDH1A1 (0.39) ALOX5ALDH1A1LMNADRD4MAPT
SCHEMBL9523998 0.80 ABCC9 (0.43) KDM4ESIRT2
SCHEMBL9523686 0.79 DRD4 (0.34) ALDH1A1LMNADRD4HTTTRPV1
SCHEMBL9525036 0.79 DRD4 (0.41) LMNANPSR1DRD4HTTSMN1; SMN2

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-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
CN-1030582-A 1-benzopyran derivatives HOFFMANN LA ROCHE (CH) 1989-01-25 CN disclosed