SCHEMBL6880348

SCHEMBL6880348

CCOc1cc(OCC)c(OCC)c(P(c2c(OCC)c(OCC)cc(OCC)c2OCC)c2c(OCC)c(OCC)cc(OCC)c2OCC)c1OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
ALDH1A1 P00352 7/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 2/20 0.40
CYP3A4 P08684 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
GAA P10253 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 3/20 0.37
GLA P06280 1/20 0.37
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 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
SCHEMBL31360845 0.80 TSHR (0.52) TSHRALDH1A1HTTLMNACYP3A4
SCHEMBL6883230 0.78 NQO1 (0.35) TSHR
SCHEMBL10612089 0.74 TSHR (0.52) TSHRALDH1A1HTTLMNACYP3A4
SCHEMBL27530564 0.74 TSHR (0.47) TSHRALDH1A1HTTLMNACYP3A4
SCHEMBL11491934 0.74 TSHR (0.58) TSHRALDH1A1LMNACYP3A4SMN1; SMN2
SCHEMBL6874622 0.73 MAPT (0.39) TSHRALDH1A1LMNACYP3A4SMN1; SMN2
SCHEMBL6884520 0.73 NQO1 (0.44) TSHRALDH1A1LMNACYP3A4GAA
SCHEMBL9196941 0.72 ALDH1A1 (0.48) TSHRALDH1A1SMN1; SMN2GAAHSD17B10
SCHEMBL6884502 0.71 KDM4E (0.33) ALDH1A1HSD17B10KDM4EHPGDL3MBTL1
SCHEMBL6881799 0.71 KDM4E (0.33) ALDH1A1HSD17B10KDM4EHPGDL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040260039-A1 Process for producing organic compound epoxy resin composition, cured article obtained from the epoxy resin, and semiconductor device obtained with epoxy resin MITSUI CHEMICALS, INC. (JP) 2004-12-23 US disclosed