SCHEMBL11003458

SCHEMBL11003458

CCC(O)C1CCCC1CC1CCCC1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
SHBG P04278 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
SCHEMBL11001340 0.96 CA1 (0.35) CA1CA2CA4SHBG
SCHEMBL14639770 0.79 CA1 (0.40) CA1CA2CA4SHBG
SCHEMBL29107471 0.78 CA1 (0.32) CA1CA2CA4SHBG
SCHEMBL18543668 0.78 CA1 (0.39) CA1CA2CA4SHBG
SCHEMBL18543688 0.74 CA1 (0.41) CA1CA2CA4SHBG
SCHEMBL16191241 0.74 SHBG (0.33) CA1CA2CA4SHBG
SCHEMBL1132729 0.70 CA1 (0.43) CA1CA2CA4SHBG
SCHEMBL12676494 0.70 CA1 (0.38) CA1CA2CA4SHBG
SCHEMBL12676496 0.70 CA1 (0.38) CA1CA2CA4SHBG
SCHEMBL12676495 0.70 CA1 (0.38) CA1CA2CA4SHBG

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-4522948-A SPERMICIDAL AND SPERMATOSTATIC AGENTS SYNTEX (U.S.A.) INC. (US) 1985-06-11 US disclosed