SCHEMBL7102647

SCHEMBL7102647

CCCc1ccc(OCCOC2CCCCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
HPGD P15428 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 2/20 0.44
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
TSHR P16473 1/20 0.43
HRH3 Q9Y5N1 2/20 0.41
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
USP2 O75604 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL7108441 0.88 HPGD (0.50) KMT2AMEN1HPGDCYP1A2CYP2D6
SCHEMBL7106735 0.84 HPGD (0.45) KMT2AMEN1HPGDALDH1A1HRH3
SCHEMBL19455128 0.81 HPGD (0.52) HPGDCYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL20869253 0.81 KDM4E (0.59) HPGDCYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL7106738 0.80 HPGD (0.44) KMT2AMEN1HPGDCYP1A2CYP2D6
SCHEMBL8276090 0.80 NFE2L2 (0.62) KMT2AMEN1HPGDALDH1A1HRH3
SCHEMBL13907677 0.79 KMT2A (0.54) KMT2AMEN1CYP1A2CYP2D6CYP2C19
SCHEMBL4964015 0.79 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1TSHRHRH3
SCHEMBL11733801 0.78 HRH3 (0.52) HPGDCYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL11519998 0.78 NFE2L2 (0.63) HPGDCYP1A2CYP2D6CYP2C19TSHR

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