SCHEMBL22115686

SCHEMBL22115686

O=S(=O)(O)CCCOc1ccc(C(=C(c2ccccc2)c2ccc(OCCCS(=O)(=O)O)cc2)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.53
CYP19A1 P11511 2/20 0.53
ESR1 P03372 2/20 0.53
ESR2 Q92731 1/20 0.53
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
POLB P06746 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
MAPT P10636 1/20 0.50
ALOX15 P16050 1/20 0.50
BRCA1 P38398 1/20 0.50
HTT P42858 1/20 0.50
KDM4E B2RXH2 1/20 0.50
GMNN O75496 1/20 0.50
THPO P40225 1/20 0.50
MTOR P42345 1/20 0.50
RECQL P46063 1/20 0.50
BLM P54132 1/20 0.50

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
SCHEMBL12659237 1.00 PKM (0.53) PKMCYP19A1ESR1ESR2ALDH1A1
SCHEMBL16414684 0.98 PKM (0.51) PKMCYP19A1ESR1ESR2ALDH1A1
SCHEMBL80629 0.94 PTGS2 (0.54) ESR1LTA4HPTGS2TP53TSHR
SCHEMBL15101908 0.94 PTGS2 (0.54) ESR1LTA4HPTGS2TP53TSHR
SCHEMBL28030079 0.93 ALDH1A1 (0.55) PKMCYP19A1ESR1ESR2ALDH1A1
SCHEMBL80670 0.93 ESRRG (0.48) PKMCYP19A1ESR1ESR2ALDH1A1
SCHEMBL15306837 0.92 ESR1 (0.46) PKMCYP19A1ESR1ESR2ALDH1A1
SCHEMBL6267331 0.89 GAA (0.64) PKMALDH1A1LMNAPOLBRAB9A
SCHEMBL12659285 0.88 ALDH1A1 (0.44) PKMCYP19A1ESR1ESR2ALDH1A1
SCHEMBL16713448 0.88 GAA (0.62) PKMALDH1A1LMNAPOLBRAB9A

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-3668718-B1 TAMPER-EVIDENT ADHESIVES, SEALS, AND CONTAINERS SUN CHEMICAL CORP (US) 2025-01-01 EP claimed
EP-3668718-A1 TAMPER-EVIDENT MATERIALS, ADHESIVES, SEALS, AND CONTAINERS Sun Chemical Corporation (US) 2020-06-24 EP claimed
EP-3668718-A1 TAMPER-EVIDENT MATERIALS, ADHESIVES, SEALS, AND CONTAINERS Sun Chemical Corporation (US) 2020-06-24 EP disclosed