SCHEMBL21887739

SCHEMBL21887739

CC(C)c1cc2n(n1)CC(C)c1cc(-c3cccc(S(C)(=O)=O)c3)ccc1-2

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 9/20 0.53
GRIA2 P42262 1/20 0.40
KCNH2 Q12809 6/20 0.38
JAK2 O60674 1/20 0.38
PIK3CD O00329 1/20 0.37
PIK3CG P48736 1/20 0.37
NR1H3 Q13133 7/20 0.37
RXRA P19793 3/20 0.36
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 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
SCHEMBL21887871 0.84 NR1H2 (0.43) NR1H2GRIA2KCNH2JAK2PIK3CD
SCHEMBL21888599 0.84 NR1H2 (0.44) NR1H2GRIA2KCNH2JAK2PIK3CD
SCHEMBL21887872 0.76 NR1H2 (0.39) NR1H2JAK2PIK3CDPIK3CGNR1H3
SCHEMBL21887738 0.74 HTR2A (0.32)
SCHEMBL16566072 0.70 NR1H2 (1.00) NR1H2GRIA2KCNH2JAK2PIK3CD
SCHEMBL16553570 0.68 NR1H2 (0.73) NR1H2KCNH2PIK3CDPIK3CGNR1H3
SCHEMBL21888601 0.67 NR1H2 (0.42) NR1H2NR1H3RXRA
SCHEMBL20879888 0.66 NR1H2 (0.47) NR1H2GRIA2KCNH2JAK2PIK3CD
SCHEMBL6243674 0.65 KCNH2 (0.50) NR1H2KCNH2JAK2NR1H3
SCHEMBL16553577 0.64 NR1H2 (0.67) NR1H2NR1H3

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
EP-3626712-A2 LIVER X RECEPTOR (LXR) MODULATORS Ellora Therapeutics, Inc. (US) 2020-03-25 EP disclosed