SCHEMBL2829794

SCHEMBL2829794

Cc1cc(CCc2cc(C)c(OCCC3CO3)c(C)c2)cc(C)c1OCCC1CO1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
HTR1A P08908 4/20 0.35
HTR2A P28223 2/20 0.35
HTR7 P34969 2/20 0.35
ADRA1A P35348 1/20 0.35
HTR6 P50406 1/20 0.35
ALDH1A1 P00352 2/20 0.34
GLA P06280 1/20 0.34
S1PR1 P21453 5/20 0.33
S1PR3 Q99500 5/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL2832825 0.92 MEN1 (0.40) KMT2AMEN1HTR1AHTR2AHTR7
SCHEMBL2830465 0.90 ALDH1A1 (0.39) KMT2AMEN1HTR1AHTR2AHTR7
SCHEMBL2831878 0.90 MEN1 (0.37) KMT2AMEN1HTR1AALDH1A1GLA
SCHEMBL2832887 0.86 ALDH1A1 (0.36) KMT2AMEN1HTR1AALDH1A1GLA
SCHEMBL2832821 0.82 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1GLATP53
SCHEMBL2831170 0.82 MEN1 (0.38) KMT2AMEN1ALDH1A1S1PR1TP53
SCHEMBL2830348 0.82 TSHR (0.43) KMT2AMEN1HTR1AHTR2AHTR7
SCHEMBL2832920 0.81 MEN1 (0.36) KMT2AMEN1HTR1AALDH1A1GLA
SCHEMBL2835150 0.81 ALDH1A1 (0.45) KMT2AMEN1HTR1AALDH1A1GLA
SCHEMBL2830517 0.81 CYP3A4 (0.38) KMT2AMEN1ALDH1A1TP53CYP3A4

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
US-20100160555-A1 RESIN COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-24 US disclosed
EP-2133380-A1 RESIN COMPOSITION Sumitomo Chemical Company, Limited (JP) 2009-12-16 EP disclosed