SCHEMBL9564988

SCHEMBL9564988

O=C(c1ccc(O)cc1)N(CCO)CCO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
BLM P54132 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ABL1 P00519 1/20 0.50
POLB P06746 1/20 0.50
ALPI P09923 1/20 0.50
GAA P10253 1/20 0.50
ALPG P10696 1/20 0.50
APEX1 P27695 1/20 0.50
CASP3 P42574 1/20 0.50
RECQL P46063 1/20 0.50
CASP7 P55210 1/20 0.50
CASP6 P55212 1/20 0.50
MCL1 Q07820 1/20 0.50
RIN1 Q13671 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ESR1 P03372 3/20 0.44
ESR2 Q92731 2/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL17305019 0.94 ALDH1A1 (0.47) ALDH1A1L3MBTL1BLMKDM4EABL1
SCHEMBL7157289 0.91 ALDH1A1 (0.48) ALDH1A1L3MBTL1GAAMAPTHPGD
SCHEMBL21788015 0.85 ALDH1A1 (0.53) ALDH1A1L3MBTL1KDM4EGAAMAPT
SCHEMBL17305021 0.82 ESR1 (0.47) ALDH1A1L3MBTL1BLMKDM4EABL1
SCHEMBL4489409 0.82 MLYCD (0.64) ALDH1A1GAATDP1ESR1ESR2
SCHEMBL17305016 0.82 POLB (0.53) ALDH1A1L3MBTL1KDM4EPOLBRECQL
SCHEMBL14117677 0.82 CYP3A4 (0.43) ALDH1A1L3MBTL1BLMKDM4EPOLB
SCHEMBL19835578 0.82 ALDH1A1 (0.64) ALDH1A1L3MBTL1KDM4ELMNAMAPT
SCHEMBL7456186 0.82 ALDH1A1 (0.46) ALDH1A1L3MBTL1GAATDP1LMNA
SCHEMBL29562310 0.82 EGFR (0.56) ALDH1A1L3MBTL1BLMKDM4EABL1

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-0564259-A2 Stabilized polyurethane foam ARCO Chemical Technology, L.P. (US) 1993-10-06 EP claimed
EP-0564259-A2 Stabilized polyurethane foam ARCO Chemical Technology, L.P. (US) 1993-10-06 EP disclosed