SCHEMBL7580582

SCHEMBL7580582

C=COCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCOC=C)cc3)c3ccccc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.43
ESR2 Q92731 4/20 0.43
MAPT P10636 5/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 1/20 0.42
JAK2 O60674 1/20 0.42
USP2 O75604 1/20 0.42
GAA P10253 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
PRSS1 P07477 1/20 0.41
ACR P10323 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
PKM P14618 1/20 0.40
PARP10 Q53GL7 1/20 0.38

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
SCHEMBL7574704 0.97 ESR1 (0.43) ESR1ESR2MAPTRAB9AKMT2A
SCHEMBL7573082 0.96 ESR1 (0.42) ESR1ESR2MAPTRAB9AKMT2A
SCHEMBL7573182 0.96 ESR1 (0.42) ESR1ESR2MAPTRAB9AKMT2A
SCHEMBL7572730 0.96 ESR1 (0.42) ESR1ESR2MAPTRAB9AKMT2A
SCHEMBL7573279 0.96 ESR1 (0.42) ESR1ESR2MAPTRAB9AKMT2A
SCHEMBL7581461 0.96 ESR1 (0.42) ESR1ESR2MAPTRAB9AKMT2A
SCHEMBL7571722 0.96 ESR1 (0.42) ESR1ESR2MAPTRAB9AKMT2A
SCHEMBL7579545 0.96 ESR1 (0.42) ESR1ESR2MAPTRAB9AKMT2A
SCHEMBL7572221 0.96 ESR1 (0.42) ESR1ESR2MAPTRAB9AKMT2A
SCHEMBL7578891 0.95 ESR1 (0.49) ESR1ESR2MAPTRAB9AKMT2A

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-0731084-B1 Photocrosslinkable naphthyl derivatives ROLIC AG (CH) 2002-09-25 EP disclosed
EP-0731084-A2 Photocrosslinkable naphthyl derivatives F. HOFFMANN-LA ROCHE AG (CH) 1996-09-11 EP disclosed