SCHEMBL9494004

SCHEMBL9494004

CCN(CC)c1ccc(-c2nc(-c3cc(OC)c(O)c(OC)c3)n(C)c2-c2ccc(N(CC)CC)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 6/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HSD17B10 Q99714 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GSK3B P49841 1/20 0.36
GAA P10253 2/20 0.36
TEK Q02763 2/20 0.36
USP2 O75604 1/20 0.36
ESR1 P03372 1/20 0.36
GLA P06280 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 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
SCHEMBL12152129 0.88 TEK (0.40) SMPD3ALDH1A1KDM4ELMNATP53
SCHEMBL14445889 0.87 TUBB4A (0.43) SMPD3ALDH1A1KDM4ELMNATP53
SCHEMBL9099285 0.86 SMPD3 (0.40) SMPD3ALDH1A1KDM4ELMNATP53
SCHEMBL14445896 0.83 SMPD3 (0.53) SMPD3TEKNOX1FGFR1
SCHEMBL10914827 0.82 SMPD3 (0.38) SMPD3ALDH1A1KDM4ELMNATP53
SCHEMBL4087612 0.81 SMPD3 (0.37) SMPD3ALDH1A1KDM4ELMNATP53
SCHEMBL14446518 0.81 FABP4 (0.44) ALDH1A1KDM4ELMNATP53MAPT
SCHEMBL10082739 0.81 FABP4 (0.36) SMPD3ALDH1A1LMNAMAPTGAA
SCHEMBL9684929 0.79 ALDH1A1 (0.36) SMPD3ALDH1A1KDM4ELMNAMAPT
SCHEMBL14446724 0.79 KDM4E (0.38) ALDH1A1KDM4ELMNATP53MAPT

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
EP-0272578-B1 MULTILAYER ANALYSIS ELEMENTS FOR THE DETERMINATION OF TOTAL CHOLESTEROL Fuji Photo Film Co., Ltd. (JP) 1993-03-24 EP disclosed
EP-0244825-A1 Dry-type analytical element for cholesterol FUJI PHOTO FILM CO., LTD. (JP) 1987-11-11 EP disclosed