SCHEMBL11308992

SCHEMBL11308992

C#CC(C)c1c(C(=O)O)ccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.51
LDHA P00338 1/20 0.50
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
CDC25B P30305 1/20 0.41
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
KDM4E B2RXH2 3/20 0.40
SOS1 Q07889 1/20 0.40
AKR1B1 P15121 1/20 0.40
NCEH1 Q6PIU2 1/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
LMNA P02545 1/20 0.39
CSNK2A2 P19784 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
SCHEMBL23809161 0.82 WDR5 (0.59) WDR5LDHANR4A1NR4A2NR4A3
SCHEMBL14150964 0.77 WDR5 (0.53) WDR5LDHANR4A1NR4A2NR4A3
SCHEMBL7539671 0.74 WDR5 (0.49) WDR5LDHANR4A1NR4A2NR4A3
SCHEMBL28789417 0.72 WDR5 (0.54) WDR5LDHANR4A1NR4A2NR4A3
SCHEMBL6539256 0.70 WDR5 (0.61) WDR5LDHANR4A1NR4A2NR4A3
SCHEMBL5860743 0.70 WDR5 (0.51) WDR5LDHANR4A1NR4A2NR4A3
SCHEMBL248146 0.70 WDR5 (0.66) WDR5LDHANR4A1NR4A2NR4A3
SCHEMBL3370101 0.70 WDR5 (0.66) WDR5LDHANR4A1NR4A2NR4A3
SCHEMBL9807649 0.69 NCEH1 (0.51) WDR5LDHANR4A1NR4A2NR4A3
SCHEMBL895573 0.69 WDR5 (1.00) WDR5LDHANR4A1NR4A2NR4A3

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-4291058-A CONTAINING A TRIPLE BOND, USED TO CONTROL INSECTS AND ACARIDS HOFFMANN-LA ROCHE INC. (US) 1981-09-22 US disclosed