SCHEMBL11340662

SCHEMBL11340662

CC#COCN(CCCCCC)COC#CC

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 3/20 0.38
KCNH2 Q12809 3/20 0.33
TSHR P16473 1/20 0.32
THRB P10828 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 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
SCHEMBL11263176 1.00 DNM1 (0.38) DNM1KCNH2TSHRTHRBCA12
SCHEMBL11267810 0.92 MAPT (0.33) KCNH2CA12CA1CA9
SCHEMBL11329391 0.85
SCHEMBL15283114 0.79 DNM1 (0.34) DNM1
SCHEMBL20658181 0.72 THRB (0.40) TSHRTHRBCA12CA1CA2
SCHEMBL24473984 0.70 DNM1 (0.55) DNM1KCNH2TSHRTHRBCA12
SCHEMBL24113636 0.70 DNM1 (0.55) DNM1KCNH2TSHRTHRBCA12
SCHEMBL20979308 0.70 DNM1 (0.55) DNM1KCNH2TSHRTHRBCA12
SCHEMBL24372535 0.70 DNM1 (0.55) DNM1KCNH2TSHRTHRBCA12
SCHEMBL20711482 0.70 DNM1 (0.55) DNM1KCNH2TSHRTHRBCA12

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-4248796-A CORROSION INHIBITORS FOR METALS PETROLITE CORPORATION (US) 1981-02-03 US disclosed