SCHEMBL7573203

SCHEMBL7573203

C=COCCCCCOc1ccc(C(=O)Oc2cccc3c(OC(=O)c4ccc(OCCCCCOC=C)cc4)cccc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.48
ESR2 Q92731 4/20 0.48
KMT2A Q03164 3/20 0.44
GAA P10253 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
JAK2 O60674 1/20 0.44
USP2 O75604 1/20 0.44
ALOX15 P16050 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HTT P42858 1/20 0.42
NPC1 O15118 2/20 0.41
LMNA P02545 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL7580310 1.00 ESR1 (0.48) ESR1ESR2KMT2AGAASMN1; SMN2
SCHEMBL7573864 1.00 ESR1 (0.48) ESR1ESR2KMT2AGAASMN1; SMN2
SCHEMBL7574123 1.00 ESR1 (0.48) ESR1ESR2KMT2AGAASMN1; SMN2
SCHEMBL7578864 1.00 ESR1 (0.48) ESR1ESR2KMT2AGAASMN1; SMN2
SCHEMBL7574157 1.00 ESR1 (0.48) ESR1ESR2KMT2AGAASMN1; SMN2
SCHEMBL7573334 1.00 ESR1 (0.48) ESR1ESR2KMT2AGAASMN1; SMN2
SCHEMBL7573095 1.00 ESR1 (0.48) ESR1ESR2KMT2AGAASMN1; SMN2
SCHEMBL7571746 0.99 ESR1 (0.49) ESR1ESR2KMT2AGAASMN1; SMN2
SCHEMBL7578891 0.96 ESR1 (0.49) ESR1ESR2KMT2AGAASMN1; SMN2
SCHEMBL7572221 0.95 ESR1 (0.42) ESR1ESR2KMT2AGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0731084-B1 Photocrosslinkable naphthyl derivatives ROLIC AG (CH) 2002-09-25 EP disclosed
US-5851427-A Photocross-linkable naphthyl derivatives ROLIC AG (CH) 1998-12-22 US disclosed
EP-0731084-A2 Photocrosslinkable naphthyl derivatives F. HOFFMANN-LA ROCHE AG (CH) 1996-09-11 EP disclosed