SCHEMBL6966535

SCHEMBL6966535

CCCCCCn1c(CO)nc(C(C)C)c1Sc1cc(C)cc(C)c1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GCGR P47871 16/20 0.35
TSSK1B Q9BXA7 1/20 0.33
TLR8 Q9NR97 2/20 0.32

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
SCHEMBL6973709 0.95 GCGR (0.34) GCGR
SCHEMBL7079167 0.91 GCGR (0.34) GCGRTSSK1BTLR8
SCHEMBL6961746 0.91 ALDH1A1 (0.37) GCGR
SCHEMBL6962650 0.90 TLR7 (0.35) GCGRTSSK1BTLR8
SCHEMBL6965783 0.88 HSP90B1 (0.39) GCGR
SCHEMBL6974433 0.88 GCGR (0.37) GCGRTSSK1B
SCHEMBL7081625 0.88 HSP90B1 (0.39) GCGR
SCHEMBL6976885 0.86 MEN1 (0.33) GCGR
SCHEMBL6976916 0.86 DHODH (0.35)
SCHEMBL7081111 0.85 MEN1 (0.32) GCGR

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