SCHEMBL7568918

SCHEMBL7568918

COc1cc(OC)c2cc(COC(=O)c3ccccc3)c3c(c2c1)OC(c1ccccc1)(c1ccc(N(C)C)cc1)C=C3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
MAPT P10636 6/20 0.40
KDM4E B2RXH2 6/20 0.40
HPGD P15428 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
RAB9A P51151 1/20 0.40
TSHR P16473 3/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPK1 P28482 4/20 0.36
NPC1 O15118 2/20 0.36
GAA P10253 1/20 0.36
PRKCA P17252 2/20 0.34
PRKCE Q02156 2/20 0.34
RASGRP3 Q8IV61 2/20 0.34
TDP1 Q9NUW8 7/20 0.34
LMNA P02545 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 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
SCHEMBL7569354 0.92 TDP1 (0.35) ALDH1A1MAPTKDM4EHPGDTSHR
SCHEMBL11983659 0.91 TDP1 (0.36) ALDH1A1MAPTKDM4EHPGDTSHR
SCHEMBL12952370 0.89 TDP1 (0.33) ALDH1A1MAPTKDM4EHSD17B10MAPK1
SCHEMBL7568969 0.87 PTPN1 (0.34) ALDH1A1MAPTKDM4ETSHRHSD17B10
SCHEMBL15470786 0.85 TDP1 (0.31) MAPK1TDP1
SCHEMBL10102271 0.85 MEN1 (0.34) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL13659148 0.84 TDP1 (0.30) MAPK1TDP1
SCHEMBL15470789 0.83 TDP1 (0.32) MAPK1TDP1
SCHEMBL15470794 0.81
SCHEMBL12588656 0.81

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-0984929-B1 NAPHTHOPYRAN DERIVATIVES, COMPOSITIONS AND (CO)POLYMER MATRICES CONTAINING THE SAME CORNING SA (FR) 2002-09-11 EP claimed