SCHEMBL7574704

SCHEMBL7574704

C=COCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCOC=C)cc3)c3ccccc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.43
ESR2 Q92731 2/20 0.43
MAPT P10636 4/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 2/20 0.42
MEN1 O00255 1/20 0.42
JAK2 O60674 1/20 0.42
USP2 O75604 1/20 0.42
ALOX15 P16050 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PPARA Q07869 1/20 0.41
PRSS1 P07477 1/20 0.41
ACR P10323 1/20 0.41
LSS P48449 2/20 0.40
TDP1 Q9NUW8 1/20 0.40

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 0.99 ESR1 (0.42) ESR1ESR2MAPTRAB9AL3MBTL1
SCHEMBL7573279 0.99 ESR1 (0.42) ESR1ESR2MAPTRAB9AL3MBTL1
SCHEMBL7581461 0.99 ESR1 (0.42) ESR1ESR2MAPTRAB9AL3MBTL1
SCHEMBL7572221 0.99 ESR1 (0.42) ESR1ESR2MAPTRAB9AL3MBTL1
SCHEMBL7573182 0.99 ESR1 (0.42) ESR1ESR2MAPTRAB9AL3MBTL1
SCHEMBL7573082 0.99 ESR1 (0.42) ESR1ESR2MAPTRAB9AL3MBTL1
SCHEMBL7571722 0.99 ESR1 (0.42) ESR1ESR2MAPTRAB9AL3MBTL1
SCHEMBL7579545 0.99 ESR1 (0.42) ESR1ESR2MAPTRAB9AL3MBTL1
SCHEMBL7580582 0.97 ESR1 (0.43) ESR1ESR2MAPTRAB9AL3MBTL1
SCHEMBL7571746 0.95 ESR1 (0.49) ESR1ESR2MAPTL3MBTL1KMT2A

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