SCHEMBL5085494

SCHEMBL5085494

CCCCCC#Cc1cccc2c1C(=O)OC2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.43
CYP3A4 P08684 5/20 0.40
TSHR P16473 1/20 0.40
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPT P10636 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
CYP2C9 P11712 3/20 0.37
CYP2C19 P33261 3/20 0.37
CYP1A2 P05177 2/20 0.37
LMNA P02545 1/20 0.37
CYP2D6 P10635 1/20 0.37
APEX1 P27695 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GPR84 Q9NQS5 1/20 0.35

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
SCHEMBL2810677 0.99 KCNH2 (0.46) KCNH2CYP3A4TSHRCYSLTR2CYSLTR1
SCHEMBL31415633 0.99 KCNH2 (0.46) KCNH2CYP3A4TSHRCYSLTR2CYSLTR1
SCHEMBL2815242 0.96 CYP3A4 (0.40) KCNH2CYP3A4TSHRCYSLTR2CYSLTR1
SCHEMBL31415580 0.83 CYSLTR2 (0.33) KCNH2CYP3A4TSHRCYSLTR2CYSLTR1
SCHEMBL2808745 0.83 ALOX15 (0.38) TSHRTDP1ALDH1A1ALOX15TRPA1
SCHEMBL18069182 0.79 KCNH2 (0.43) KCNH2CYP3A4TSHRCYSLTR2CYSLTR1
SCHEMBL12814518 0.78 TDP1 (0.48) TSHRKDM4EMAPTTDP1HSD17B10
SCHEMBL18069179 0.75 TYMS (0.44) KCNH2CYP3A4TSHRCYSLTR2CYSLTR1
SCHEMBL2710468 0.75 ALOX15 (0.41) TSHRMAPTTDP1ALDH1A1ALOX15
SCHEMBL2813456 0.74 ALOX15 (0.32) TDP1ALOX15

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-20080194794-A1 MATERIALS FOR THE MANUFACTURE OF PROTON CONDUCTING MEMBRANES, METHODS OF MAKING THE SAME, AND USES THEREOF THE UNIVERSITY OF CONNECTICUT 2008-08-14 US claimed
US-20080194794-A1 MATERIALS FOR THE MANUFACTURE OF PROTON CONDUCTING MEMBRANES, METHODS OF MAKING THE SAME, AND USES THEREOF THE UNIVERSITY OF CONNECTICUT 2008-08-14 US disclosed