SCHEMBL6690481

SCHEMBL6690481

CCCC(O)c1cccc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 5/20 0.48
ADRB3 P13945 5/20 0.48
ADRB2 P07550 3/20 0.48
SLC2A1 P11166 2/20 0.47
OPRM1 P35372 3/20 0.43
OPRD1 P41143 3/20 0.43
OPRK1 P41145 3/20 0.43
OPRL1 P41146 3/20 0.43
IDO1 P14902 2/20 0.43
LMNA P02545 1/20 0.42
ACP3 P15309 1/20 0.41

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
SCHEMBL13849930 1.00 ADRB1 (0.48) ADRB1ADRB3ADRB2SLC2A1OPRM1
SCHEMBL14402491 1.00 ADRB1 (0.48) ADRB1ADRB3ADRB2SLC2A1OPRM1
SCHEMBL13849942 1.00 ADRB1 (0.48) ADRB1ADRB3ADRB2SLC2A1OPRM1
SCHEMBL7906262 0.91 OPRM1 (0.49) ADRB1ADRB3ADRB2SLC2A1OPRM1
SCHEMBL11593821 0.86 LMNA (0.46) ADRB1ADRB3ADRB2LMNA
SCHEMBL281883 0.85 IDO1 (0.48) ADRB1ADRB3ADRB2SLC2A1OPRK1
SCHEMBL3156406 0.85 IDO1 (0.48) ADRB1ADRB3ADRB2SLC2A1OPRK1
SCHEMBL282798 0.85 IDO1 (0.48) ADRB1ADRB3ADRB2SLC2A1OPRK1
SCHEMBL3482675 0.85 LMNA (0.57) ADRB1ADRB3ADRB2SLC2A1IDO1
SCHEMBL867222 0.85 LMNA (0.57) ADRB1ADRB3ADRB2SLC2A1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0985649-B1 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES (JP) 2004-11-24 EP disclosed
US-6462248-B1 THROUGH CONVERSION, ISOMERIZATION AND/OR ADSORPTIVE SEPARATION OF AROMATIC COMPOUNDS TORAY INDUSTRIES, INC. (JP) 2002-10-08 US disclosed
EP-0985649-A2 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES, INC. (JP) 2000-03-15 EP disclosed