SCHEMBL11285756

SCHEMBL11285756

C1CCC(OOOC2CCCC2)C1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA12 O43570 2/20 0.33
CA9 Q16790 2/20 0.33
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL28970866 0.93 CA1 (0.36) CA1CA2CA12CA9
SCHEMBL10800200 0.84 CA1 (0.36) CA1CA2CA12CA9ALDH1A1
SCHEMBL12831207 0.81
SCHEMBL36848 0.80 CA1 (0.41) CA1CA2CA12CA9ALDH1A1
SCHEMBL11679637 0.80 CA1 (0.41) CA1CA2CA12CA9ALDH1A1
SCHEMBL11638037 0.80 CA1 (0.41) CA1CA2CA12CA9ALDH1A1
SCHEMBL28573115 0.80 CA1 (0.41) CA1CA2CA12CA9ALDH1A1
SCHEMBL13464418 0.78 NPC1 (0.33) CA1CA2CA12CA9
SCHEMBL15539473 0.78 CA1 (0.36) CA1CA2CA12CA9
SCHEMBL11960378 0.78 CA12 (0.32) CA1CA2CA12CA9

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-4339434-A Method of increasing the incidence of female offspring GAMETRICS LIMITED (US) 1982-07-13 US disclosed