SCHEMBL14612482

SCHEMBL14612482

COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)N(C)CCO)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 9/20 0.45
KCNH2 Q12809 1/20 0.44
ALDH1A1 P00352 1/20 0.42
AOC3 Q16853 1/20 0.42
SIGMAR1 Q99720 1/20 0.40
TSHR P16473 1/20 0.40
KCNN4 O15554 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
LTA4H P09960 1/20 0.40
CA4 P22748 1/20 0.39

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
SCHEMBL6325226 0.87 KCNN4 (0.52) ALDH1A1TSHRKCNN4KDM4E
SCHEMBL18812594 0.83 KIF11 (0.47) KIF11KCNH2ALDH1A1AOC3TSHR
SCHEMBL20710184 0.82 KCNN4 (0.44) KIF11ALDH1A1KCNN4KDM4E
SCHEMBL20644774 0.82 KIF11 (0.42) KIF11KCNH2ALDH1A1SIGMAR1TSHR
SCHEMBL18803697 0.79 KIF11 (0.46) KIF11KCNH2ALDH1A1AOC3TSHR
Anisole SCHEMBL9470063 0.74 CA4 (0.56) KCNH2ALDH1A1TSHRLTA4HCA4
SCHEMBL5058831 0.73 KIF11 (0.66) KIF11KCNH2LTA4HCA4
SCHEMBL28515838 0.73 KIF11 (0.66) KIF11KCNH2LTA4HCA4
SCHEMBL15398955 0.73 KIF11 (0.49) KIF11KCNH2KCNN4LTA4HCA4
SCHEMBL5838167 0.73 KIF11 (0.60) KIF11KCNH2LTA4HCA4

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-7183405-B2 Compositions and methods for labeling oligonucleotides SYN GEN, INC. (US) 2007-02-27 US disclosed