SCHEMBL17366115

SCHEMBL17366115

OCCCc1cc(C(c2ccccc2)(c2ccccc2)c2ccc(OCC3CO3)c(CC3CO3)c2)ccc1OCC1CO1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 3/20 0.38
GLA P06280 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
TP53 P04637 3/20 0.34
TSHR P16473 3/20 0.34
HIF1A Q16665 2/20 0.34
CYP3A4 P08684 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
CYP1A2 P05177 1/20 0.34
PPARG P37231 1/20 0.34
ELANE P08246 1/20 0.33
VDR P11473 1/20 0.31
MGLL Q99685 2/20 0.31
PTPN1 P18031 1/20 0.31

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
SCHEMBL17055365 0.93 MEN1 (0.42) MEN1KMT2AALDH1A1GLATDP1
SCHEMBL17045647 0.90 MEN1 (0.49) MEN1KMT2AALDH1A1GLATDP1
SCHEMBL19227254 0.82 MEN1 (0.42) MEN1KMT2AALDH1A1GLATDP1
SCHEMBL17366110 0.80 VDR (0.35) MEN1KMT2AALDH1A1GLATP53
SCHEMBL17055462 0.78 MEN1 (0.32) MEN1KMT2AVDR
SCHEMBL18593752 0.77 MEN1 (0.45) MEN1KMT2AALDH1A1GLATDP1
SCHEMBL15835605 0.76 TSHR (0.48) MEN1KMT2AALDH1A1GLATDP1
SCHEMBL17345239 0.75 MEN1 (0.37) MEN1KMT2AALDH1A1GLATDP1
SCHEMBL15835644 0.74 MEN1 (0.50) MEN1KMT2AALDH1A1GLATDP1
SCHEMBL15835619 0.74 MEN1 (0.50) MEN1KMT2AALDH1A1GLATDP1

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
EP-2960245-A1 EPOXY COMPOUND HAVING ALKOXYSILYL GROUP, METHOD FOR MANUFACTURING SAME, COMPOSITION AND CURED PRODUCT INCLUDING SAME, AND USE THEREOF Korea Institute of Industrial Technology (KR) 2015-12-30 EP disclosed