SCHEMBL8946698

SCHEMBL8946698

CCN(CC)c1cc(C)c2c(c1)[C@@H]1C(C)(C)c3ccccc3[C@]1(C)N2

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.35

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
SCHEMBL8946707 1.00 S100B (0.35) S100B
SCHEMBL8946711 0.78 S100B (0.33) S100B
SCHEMBL8946706 0.78 S100B (0.33) S100B
SCHEMBL8946663 0.76 ATM (0.33)
SCHEMBL9018962 0.76 ATM (0.33)
SCHEMBL8946658 0.76 ATM (0.33)
SCHEMBL8946399 0.72 S100B (0.35) S100B
SCHEMBL8946828 0.65 S100B (0.35) S100B
SCHEMBL8946842 0.65 S100B (0.35) S100B
SCHEMBL8946834 0.65 S100B (0.35) S100B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5516788-A TREATMENT OF ATHEROSCLEROSIS; ANTIISCHEMIC, ANTICARCINOGENIC AGENTS; ANTICOAGULANTS UNIVERSITY OF BATH (GB) 1996-05-14 US disclosed
EP-0409410-B1 Indenoindole compounds UNIV BATH (GB) 1996-03-20 EP disclosed