SCHEMBL7102645

SCHEMBL7102645

CCCc1ccc(OC(C)OC2CCCCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.39
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
ACACB O00763 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL7108437 0.88 ALDH1A1 (0.38) PPARGPPARAKDM4EALDH1A1
SCHEMBL14838227 0.87 HTT (0.44) KMT2AMEN1HTTKDM4EALDH1A1
SCHEMBL23907146 0.86 LTA4H (0.41) HTTKDM4EALDH1A1HPGD
SCHEMBL14086001 0.84 ACACB (0.38) HTTKDM4EALDH1A1ACACBHPGD
SCHEMBL7106732 0.83 ALDH1A1 (0.37) HTTPPARGPPARAKDM4EALDH1A1
SCHEMBL26015195 0.81 ALDH1A1 (0.36) KDM4EALDH1A1ACACB
SCHEMBL23907136 0.81 KDM4E (0.39) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL23907079 0.80 LTA4H (0.40) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL15984209 0.80 MEN1 (0.41) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL825446 0.79 ALDH1A1 (0.43) KMT2AMEN1HTTKDM4EALDH1A1

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-1113005-B1 Sulfonium salt compounds WAKO PURE CHEM IND LTD (JP) 2003-08-06 EP disclosed
EP-1238969-A2 Sulfonium salt compounds Wako Pure Chemical Industries, Ltd. (JP) 2002-09-11 EP disclosed
EP-1113005-A1 Sulfonium salt compounds Wako Pure Chemical Industries, Ltd. (JP) 2001-07-04 EP disclosed