SCHEMBL6159503

SCHEMBL6159503

[CH2]CCCCCCC1CCC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.50
CYP1A2 P05177 1/20 0.42
KDM5A P29375 3/20 0.34
PHF8 Q9UPP1 3/20 0.34
KDM2A Q9Y2K7 3/20 0.34
KDM4C Q9H3R0 2/20 0.34
KDM4A O75164 1/20 0.33
EPHX1 P07099 1/20 0.32
NAAA Q02083 2/20 0.31
GPR84 Q9NQS5 1/20 0.31

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
SCHEMBL1481952 1.00 SIGMAR1 (0.50) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL6161411 1.00 SIGMAR1 (0.50) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL282389 0.97
SCHEMBL15971435 0.95 SIGMAR1 (0.56) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL2877973 0.95 SIGMAR1 (0.56) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL10385540 0.95 SIGMAR1 (0.56) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL22445 0.95 SIGMAR1 (0.56) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL1867938 0.95 SIGMAR1 (0.56) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL5707624 0.95 SIGMAR1 (0.56) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL8405052 0.95 SIGMAR1 (0.56) SIGMAR1CYP1A2KDM5APHF8KDM2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0893442-B1 LYMPH-ABSORBABLE IMIDAZOLE DERIVATIVES SHIONOGI & CO (JP) 2005-01-12 EP disclosed
EP-0786455-B1 IMIDAZOLE DERIVATIVE SHIONOGI & CO (JP) 2003-12-03 EP disclosed
CN-1093535-C Imidazole derivative SHIONOGI & CO (JP) 2002-10-30 CN disclosed
US-6147097-A METHOD FOR TREATING AIDS SHIONOGI & CO., LTD. (JP) 2000-11-14 US disclosed
US-6054591-A LYMPHOTROPIC ANTI-AIDS AGENT SHIONOGI & CO., LTD. (JP) 2000-04-25 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-0893442-A1 LYMPH-ABSORBABLE IMIDAZOLE DERIVATIVES SHIONOGI & CO., LTD. (JP) 1999-01-27 EP disclosed
CN-1158609-A Imidazole derivative SHIONOGI & CO (JP) 1997-09-03 CN disclosed
EP-0786455-A1 IMIDAZOLE DERIVATIVE SHIONOGI & CO., LTD. (JP) 1997-07-30 EP disclosed