SCHEMBL9527965

SCHEMBL9527965

CC(=O)c1ccc2c(c1)C(c1c(C)ccc[n+]1[O-])CC(C)(C)O2

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.35
P2RX7 Q99572 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TRPV1 Q8NER1 1/20 0.32

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 0.84 KDM4E (0.35) KDM4ETRPV1
SCHEMBL9524833 0.82 TLR3 (0.37)
SCHEMBL9524525 0.77 RAB9A (0.36) KDM4E
SCHEMBL9524946 0.74 HTR1A (0.34) TRPV1
SCHEMBL9525763 0.74 ABCC9 (0.38)
SCHEMBL9524585 0.73 ALOX5 (0.38) KCNA5KDM4ETRPV1
SCHEMBL9527411 0.73 BRD4 (0.37) KDM4ETRPV1
SCHEMBL9524905 0.71 DRD4 (0.33) TRPV1
SCHEMBL9525115 0.70 DRD4 (0.33) KCNA5TRPV1
SCHEMBL9523970 0.70 DRD4 (0.33)

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