SCHEMBL17284075

SCHEMBL17284075

CC(C)Oc1cccc(OC(C)C)c1-c1ccccc1P1C(C)(C)CC2(CCCO2)CC1(C)C

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 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
SCHEMBL350457 0.84 CA1 (0.38) CA1CA2CA7CA9
SCHEMBL350286 0.76 CA1 (0.46) CA1CA2CA7CA9
SCHEMBL20862833 0.74 CA1 (0.35) CA1CA2CA7CA9
SCHEMBL352304 0.71 HTR7 (0.36) CA1CA2CA7CA9
SCHEMBL10280940 0.70 CA1 (0.34) CA1CA2CA7CA9
SCHEMBL10280970 0.70 CA1 (0.40) CA1CA2CA7CA9
SCHEMBL10177366 0.65 SMN1; SMN2 (0.34) CA1CA2CA7CA9
SCHEMBL350912 0.65 ROCK2 (0.30)
SCHEMBL20862867 0.64 CA1 (0.41) CA1CA2CA7CA9
SCHEMBL10280966 0.64 CA1 (0.41) CA1CA2CA7CA9

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-9200021-B2 Phosphine ligands for catalytic reactions ABBVIE INC. (US) 2015-12-01 US disclosed