SCHEMBL6547361

SCHEMBL6547361

CCCCC1C=C(C)C=CC1(C)c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
OPRM1 P35372 3/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 2/20 0.31
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP9 P14780 1/20 0.30

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
SCHEMBL27563722 0.72 SLC6A2 (0.31) SLC6A2SLC6A4
SCHEMBL6547131 0.68 OPRM1 (0.31) OPRM1OPRL1MMP2MMP3MMP9
SCHEMBL6546850 0.66
SCHEMBL10693940 0.62 KDM4E (0.40) OPRM1OPRL1MMP2MMP3MMP9
SCHEMBL6546726 0.62 KDM4E (0.30)
SCHEMBL6546814 0.61
SCHEMBL19809158 0.59 GRM2 (0.39) OPRM1OPRL1MMP2MMP3MMP9
SCHEMBL31620178 0.58
SCHEMBL8094488 0.57 CYP1A2 (0.42) OPRM1OPRL1
SCHEMBL6252411 0.57 NFKB1 (0.32)

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-0717098-B1 A refrigerating machine oil and a fluid composition for use in a refrigerating machine NIPPON MITSUBISHI OIL CORP (JP) 2004-01-21 EP disclosed
US-5817251-A AROMATIC HYDROCARBON LUBRICANT NIPPON OIL CO., LTD. (JP) 1998-10-06 US disclosed
US-5711895-A Fluid composition for use in a refrigerating machine in which the refrigerating machine oil is at least one hydrocarbon compound of a formula consisting of two phenyl groups joined through an alkylene or alkenylene group NIPPON OIL CO., LTD. (JP) 1998-01-27 US disclosed
EP-0717098-A2 A refrigerating machine oil and a fluid composition for use in a refrigerating machine NIPPON OIL CO. LTD. (JP) 1996-06-19 EP disclosed