SCHEMBL7106735

SCHEMBL7106735

CC(C)CCc1ccc(OCCOC2CCCCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.45
HRH3 Q9Y5N1 2/20 0.45
HTT P42858 1/20 0.43
LNPEP Q9UIQ6 1/20 0.42
ACACB O00763 2/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
S1PR1 P21453 1/20 0.40
S1PR5 Q9H228 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ACACA Q13085 1/20 0.39

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
SCHEMBL7102647 0.84 KMT2A (0.55) HPGDHRH3ALDH1A1MEN1KMT2A
SCHEMBL7108441 0.81 HPGD (0.50) HPGDHRH3KDM4EALDH1A1MEN1
SCHEMBL20437887 0.80 KMT2A (0.50) HPGDLNPEPKDM4EALDH1A1MEN1
SCHEMBL7106738 0.80 HPGD (0.44) HPGDLNPEPACACBKDM4EALDH1A1
SCHEMBL20869253 0.77 KDM4E (0.59) HPGDKDM4EALDH1A1
SCHEMBL19455128 0.77 HPGD (0.52) HPGDKDM4EALDH1A1
SCHEMBL24089506 0.77 TDP1 (0.63) HRH3HTTS1PR1S1PR5TDP1
SCHEMBL6761930 0.76 HPGD (0.51) HPGDHRH3KDM4EALDH1A1
SCHEMBL14838227 0.76 HTT (0.44) HRH3HTTACACBKDM4EALDH1A1
SCHEMBL10798983 0.76 BCHE (0.50) HPGDTDP1

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