SCHEMBL2799643

SCHEMBL2799643

C[C@H](COc1c2ccoc2cc2oc(=O)ccc12)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 10/20 0.63
KCNA5 P22460 8/20 0.63
KCNA1 Q09470 3/20 0.63
KCNA4 P22459 2/20 0.63
KCNA2 P16389 2/20 0.63
THRB P10828 2/20 0.63
KCNN4 O15554 1/20 0.63
KCNA6 P17658 1/20 0.63
KCNMA1 Q12791 1/20 0.63
KCNH2 Q12809 1/20 0.63
KCNN1 Q92952 1/20 0.63
KCNA7 Q96RP8 1/20 0.63
KCNN2 Q9H2S1 1/20 0.63
KDM4E B2RXH2 5/20 0.62
POLB P06746 2/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
ALDH1A1 P00352 5/20 0.60
LMNA P02545 3/20 0.60
CYP1A2 P05177 2/20 0.60
CYP3A4 P08684 2/20 0.60

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
SCHEMBL2799641 1.00 KCNA3 (0.63) KCNA3KCNA5KCNA1KCNA4KCNA2
SCHEMBL20035921 0.81 KDM4E (0.71) KCNA3KCNA5KCNA1KCNA4KCNA2
SCHEMBL2800797 0.79 KCNA3 (0.62) KCNA3KCNA5KCNA1KCNA4KCNA2
SCHEMBL2800519 0.79 KCNA3 (0.80) KCNA3KCNA5KCNA1KCNA4KCNA2
SCHEMBL9122678 0.79 ALDH1A1 (0.71) KCNA3KCNA5KCNA1KCNA4KCNA2
SCHEMBL2798087 0.77 KCNA3 (0.86) KCNA3KCNA5KCNA1KCNA4KCNA2
SCHEMBL2583446 0.77 KCNA3 (1.00) KCNA3KCNA5KCNA1KCNA4KCNA2
SCHEMBL2585454 0.77 KCNA3 (1.00) KCNA3KCNA5KCNA1KCNA4KCNA2
SCHEMBL29410610 0.77 KCNA3 (1.00) KCNA3KCNA5KCNA1KCNA4KCNA2
SCHEMBL30977122 0.77 KDM4E (0.69) KCNA3KCNA5KCNA2THRBKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772408-B1 Substituted 5-alkoxypsoralens as inhibitors of potassium channel activity in lymphocytes and other cells THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-08-10 US claimed
US-7772408-B1 Substituted 5-alkoxypsoralens as inhibitors of potassium channel activity in lymphocytes and other cells THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-08-10 US disclosed