SCHEMBL7978833

SCHEMBL7978833

COc1cc2cc[c]c-2co1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 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
SCHEMBL4470609 0.85
SCHEMBL7976211 0.63
SCHEMBL4471580 0.63
SCHEMBL5543755 0.61 PDE4A (0.49) PDE4A
SCHEMBL8531984 0.61 ACHE (0.52) PDE4A
SCHEMBL4167756 0.61 CA12 (0.52) PDE4A
SCHEMBL27720539 0.60 ABL1 (0.47)
SCHEMBL28095381 0.60 ABL1 (0.47)
SCHEMBL4858324 0.60 CYP3A4 (0.33)
SCHEMBL5154602 0.60

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6268514-B1 TREATING INDUSTRIAL MATERIALS WITH NITROETHANE COMPOUND FOR PROTECTING AGAINST ATTACK AND DESTRUCTION BY MICROORGANISMS BASF AKTIENGESELLSCHAFT (DE) 2001-07-31 US disclosed