SCHEMBL2368581

SCHEMBL2368581

CCCc1ccc(O)cc1.CCCc1cccc(O)c1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.59
DRD3 P35462 5/20 0.59
DRD1 P21728 2/20 0.59
DRD4 P21917 1/20 0.59
DRD5 P21918 1/20 0.59
OPRK1 P41145 9/20 0.58
OPRM1 P35372 8/20 0.58
OPRD1 P41143 6/20 0.58
TAAR1 Q96RJ0 1/20 0.55
CHRM2 P08172 1/20 0.55
CHRM1 P11229 1/20 0.55
CHRM3 P20309 1/20 0.55
NLRP3 Q96P20 1/20 0.53

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
SCHEMBL29473925 0.92 DRD2 (0.67) DRD2DRD3DRD1DRD4DRD5
SCHEMBL216654 0.92 DRD2 (0.67) DRD2DRD3DRD1DRD4DRD5
Phenol SCHEMBL1236990 0.90 OPRK1 (0.65) DRD2DRD3DRD1DRD4DRD5
SCHEMBL25382505 0.90 ESR1 (0.56) DRD2DRD3DRD1DRD4DRD5
SCHEMBL2368129 0.89 ESR1 (0.61) DRD2DRD3DRD1DRD4DRD5
Lunularin SCHEMBL717118 0.88 LTA4H (0.64) DRD2DRD1OPRK1OPRM1OPRD1
SCHEMBL8512566 0.87 DRD2 (0.53) DRD2DRD3DRD1DRD4DRD5
4-Nonylphenol SCHEMBL8164933 0.86 PTGS2 (0.73) DRD2DRD3DRD1DRD4DRD5
4-Octylphenol SCHEMBL15375423 0.86 PTGS2 (0.73) DRD2DRD3DRD1DRD4DRD5
4-Octylphenol SCHEMBL5481940 0.86 PTGS2 (0.73) DRD2DRD3DRD1DRD4DRD5

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-2044092-B1 METHOD FOR PRODUCING ORGANIC PHOSPHOROUS COMPOUNDS CONTAINING HALOGENE BASF SE (DE) 2011-09-28 EP disclosed
EP-2044092-A1 METHOD FOR PRODUCING ORGANIC PHOSPHOROUS COMPOUNDS CONTAINING HALOGENE BASF SE (DE) 2009-04-08 EP disclosed
WO-2008006735-A1 METHOD FOR PRODUCING ORGANIC PHOSPHOROUS COMPOUNDS CONTAINING HALOGENE BASF SE (DE) 2008-01-17 WO disclosed
WO-2001032666-A1 METHOD FOR PRODUCING ORGANOPHOSPHITES BASF AKTIENGESELLSCHAFT (DE) 2001-05-10 WO disclosed