SCHEMBL14775992

SCHEMBL14775992

CC1CCC(C(C)C)C(N(c2[c]cccc2)C2CC(C)CCC2C(C)C)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.41
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
TRPM8 Q7Z2W7 3/20 0.36
TRPA1 O75762 2/20 0.36
HPGD P15428 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
TRPV1 Q8NER1 4/20 0.34
P2RX4 Q99571 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
NPC1 O15118 1/20 0.32
MITF O75030 1/20 0.32
TP53 P04637 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL10949151 0.78 KCNA5 (0.49) KCNA5ALDH1A1LMNATRPM8TRPA1
SCHEMBL10464626 0.74 TRPM8 (0.35) KCNA5ALDH1A1LMNATRPM8TRPA1
SCHEMBL9558707 0.74 KCNA5 (0.44) KCNA5ALDH1A1LMNATRPM8TRPA1
SCHEMBL5118235 0.72 ALDH1A1 (0.42) KCNA5ALDH1A1LMNATRPM8TRPA1
SCHEMBL11131449 0.71 KCNA5 (0.43) KCNA5ALDH1A1LMNATRPM8TRPA1
SCHEMBL2481928 0.71 TRPM8 (0.40) KCNA5ALDH1A1LMNATRPM8TRPA1
SCHEMBL10363049 0.70 KCNA5 (0.42) KCNA5ALDH1A1LMNATRPM8TRPA1
SCHEMBL10363050 0.70 KCNA5 (0.42) KCNA5ALDH1A1LMNATRPM8TRPA1
SCHEMBL6235069 0.70 TRPM8 (0.39) KCNA5ALDH1A1LMNATRPM8TRPA1
SCHEMBL589762 0.70 CYP19A1 (0.45) KCNA5ALDH1A1LMNATRPM8TRPA1

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
EP-1973655-B1 POLYDENTATE HETEROATOM LIGAND CONTAINING METAL COMPLEXES, CATALYSTS AND METHODS OF MAKING AND USING THE SAME DOW GLOBAL TECHNOLOGIES LLC (US) 2013-03-20 EP disclosed