SCHEMBL3303777

SCHEMBL3303777

NCCCCNCCCNCCCNCCN

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.81
CA6 P23280 5/20 0.81
CA7 P43166 5/20 0.81
CA9 Q16790 5/20 0.81
CA14 Q9ULX7 5/20 0.81
CA5B Q9Y2D0 5/20 0.81
CA2 P00918 4/20 0.81
CA4 P22748 4/20 0.81
CA5A P35218 4/20 0.81
CA3 P07451 3/20 0.81
ALOX15 P16050 3/20 0.81
F13A1 P00488 2/20 0.81
CYP1A2 P05177 2/20 0.81
THPO P40225 2/20 0.81
CA1 P00915 2/20 0.81
CYP2C9 P11712 1/20 0.81
PKM P14618 1/20 0.81
TSHR P16473 1/20 0.81
MTOR P42345 1/20 0.81
LMNA P02545 3/20 0.77

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
SCHEMBL3169235 0.97 CA12 (0.87) CA12CA6CA7CA9CA14
SCHEMBL3159091 0.97 CA12 (0.87) CA12CA6CA7CA9CA14
SCHEMBL817632 0.97
SCHEMBL3054702 0.97 CA12 (0.87) CA12CA6CA7CA9CA14
SCHEMBL3169101 0.93 CA12 (0.93) CA12CA6CA7CA9CA14
SCHEMBL5904795 0.93 CA12 (0.81) CA12CA6CA7CA9CA14
SCHEMBL10045116 0.93 CA12 (0.81) CA12CA6CA7CA9CA14
SCHEMBL18784646 0.93 CA12 (0.81) CA12CA6CA7CA9CA14
SCHEMBL15306482 0.93 CA12 (0.81) CA12CA6CA7CA9CA14
SCHEMBL7206015 0.93 CA12 (0.81) CA12CA6CA7CA9CA14

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-20100098788-A1 Extracts of Curcuma and Methods of Use Thereof HERBALSCIENCE GROUP, LLC 2010-04-22 US disclosed