SCHEMBL6686877

SCHEMBL6686877

CCCCCC(C)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
ADRB2 P07550 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
C3AR1 Q16581 1/20 0.39
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
KCNH2 Q12809 3/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP12 P39900 1/20 0.38

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
SCHEMBL6684287 0.98 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3ADRB2SMN1; SMN2
SCHEMBL6682986 0.94 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3ADRB2SMN1; SMN2
SCHEMBL6678858 0.89 OPRM1 (0.44) ADRB2
SCHEMBL6684351 0.87 SLC2A1 (0.44)
SCHEMBL9137197 0.87 SLC2A1 (0.44)
SCHEMBL9137103 0.86 EPHX1 (0.45) SLC6A2SLC6A4SLC6A3SMN1; SMN2
SCHEMBL16669127 0.86 EPHX1 (0.45) SLC6A2SLC6A4SLC6A3SMN1; SMN2
SCHEMBL10274563 0.85 ADRB2 (0.48) SLC6A2SLC6A4SLC6A3ADRB2SMN1; SMN2
SCHEMBL6685021 0.83 RIPK1 (0.40)
SCHEMBL11228871 0.82 SLC2A1 (0.39) SLC6A2SLC6A4SLC6A3

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 2 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
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