SCHEMBL6973927

SCHEMBL6973927

CCn1c(CCC(=O)O)nc(C(C)C)c1Sc1cccc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
AKR1B1 P15121 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
GAA P10253 2/20 0.37
RXRA P19793 3/20 0.36
RXRB P28702 3/20 0.36
RXRG P48443 3/20 0.36
SLC6A9 P48067 3/20 0.36
TBXA2R P21731 1/20 0.35
NTRK1 P04629 1/20 0.35
NTRK2 Q16620 1/20 0.35
NR4A2 P43354 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL8345363 0.89 GAA (0.37) RXFP1GAARXRARXRBRXRG
SCHEMBL8343098 0.88 HDAC6 (0.41) GAAMEN1KMT2A
SCHEMBL8345427 0.88 TBXA2R (0.37) PTGDR2GAASLC6A9TBXA2RFFAR4
SCHEMBL6970756 0.88 HDAC6 (0.41) TP53RXFP1AKR1B1PTGDR2GAA
SCHEMBL6967782 0.88 LMNA (0.39) TP53RXFP1AKR1B1PTGDR2TBXA2R
SCHEMBL6960470 0.87 TP53 (0.36) TP53RXFP1AKR1B1PTGDR2GAA
SCHEMBL6971946 0.85 TLR8 (0.40) TP53RXFP1NTRK1NTRK2MEN1
SCHEMBL6969304 0.85 ALOX12 (0.36) TP53RXFP1AKR1B1PTGDR2SLC6A9
SCHEMBL6961885 0.85 TP53 (0.37) TP53RXFP1AKR1B1PTGDR2SLC6A9
SCHEMBL8345861 0.84 LMNA (0.42) TP53RXFP1TBXA2RTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0786455-B1 IMIDAZOLE DERIVATIVE SHIONOGI & CO (JP) 2003-12-03 EP disclosed
US-6147097-A METHOD FOR TREATING AIDS SHIONOGI & CO., LTD. (JP) 2000-11-14 US disclosed
US-5910506-A IMIDAZOLE DERIVATIVES, E.G.5-(3,5-DICHLOROPHENYLTHIO)-1,2-DIMETHYL-4-ISOPROPYL-1H-IMIDAZOLE; VIRICIDES; AIDS; NONTOXIC SHIONOGI & CO., LTD. (JP) 1999-06-08 US disclosed
EP-0786455-A1 IMIDAZOLE DERIVATIVE SHIONOGI & CO., LTD. (JP) 1997-07-30 EP disclosed