SCHEMBL8912778

SCHEMBL8912778

C1=CC2(Oc3c1c1ncccc1c1ccccc31)C1CC3CC(C1)CC2C3

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TP53 P04637 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
SCHEMBL8910451 0.90 P2RX7 (0.31) TP53
SCHEMBL8868990 0.74 KDM4E (0.39) TP53
SCHEMBL8911274 0.69 CA12 (0.37)
SCHEMBL8122010 0.67 HTR2C (0.33) TP53
SCHEMBL4993117 0.61 HSP90AA1 (0.64) TP53
SCHEMBL30733943 0.61 HSP90AA1 (0.56) TP53
SCHEMBL15374722 0.61 HSP90AA1 (0.56) TP53
SCHEMBL422507 0.61 HSP90AA1 (0.56) TP53
SCHEMBL8910990 0.60
SCHEMBL8910440 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-5608065-A ADAMANTANEOSPIRO-HETEROAROMATIC PYRANS OPTISCHE WERKE G. RODENSTOCK (DE) 1997-03-04 US claimed