SCHEMBL7573279

SCHEMBL7573279

C=COCCCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCCCCCOC=C)cc3)c3ccccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.42
ESR2 Q92731 2/20 0.42
HTT P42858 1/20 0.42
GAA P10253 2/20 0.42
LSS P48449 2/20 0.42
MAPT P10636 4/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
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
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
JAK2 O60674 1/20 0.41
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL7572730 1.00 ESR1 (0.42) ESR1ESR2HTTGAALSS
SCHEMBL7573082 1.00 ESR1 (0.42) ESR1ESR2HTTGAALSS
SCHEMBL7573182 1.00 ESR1 (0.42) ESR1ESR2HTTGAALSS
SCHEMBL7572221 1.00 ESR1 (0.42) ESR1ESR2HTTGAALSS
SCHEMBL7581461 1.00 ESR1 (0.42) ESR1ESR2HTTGAALSS
SCHEMBL7579545 1.00 ESR1 (0.42) ESR1ESR2HTTGAALSS
SCHEMBL7571722 1.00 ESR1 (0.42) ESR1ESR2HTTGAALSS
SCHEMBL7574704 0.99 ESR1 (0.43) ESR1ESR2HTTGAALSS
SCHEMBL7580582 0.96 ESR1 (0.43) ESR1ESR2GAAMAPTRAB9A
SCHEMBL7580310 0.95 ESR1 (0.48) ESR1ESR2HTTGAALSS

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