SCHEMBL9816690

SCHEMBL9816690

c1ccc(Oc2cccc(Cc3ccccc3Oc3ccccc3Cc3cccc(Oc4ccccc4)c3)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.55
ALDH1A1 P00352 4/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
FDFT1 P37268 2/20 0.48
HRH1 P35367 1/20 0.46
RIPK1 Q13546 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
HTT P42858 2/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
PDE10A Q9Y233 1/20 0.43
MAOB P27338 1/20 0.43
ABCB1 P08183 1/20 0.42
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42

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
SCHEMBL9816687 0.97 KDM4E (0.55) KDM4EALDH1A1MEN1KMT2AFDFT1
SCHEMBL28050638 0.85 ABCB1 (0.56) KDM4EALDH1A1MEN1KMT2ARIPK1
Phosphine SCHEMBL28050726 0.84 ABCB1 (0.55) KDM4EALDH1A1MEN1KMT2ARIPK1
SCHEMBL28180000 0.83 HRH1 (0.58) KMT2AFDFT1HRH1RIPK1SLC6A2
SCHEMBL8896665 0.83 TSHR (0.55) KDM4EALDH1A1MEN1KMT2AFDFT1
Phosphine SCHEMBL28179254 0.82 HRH1 (0.56) KMT2AFDFT1HRH1RIPK1SLC6A2
SCHEMBL246372 0.81 HPGD (0.58) HRH1HPGDSMN1; SMN2DRD2
SCHEMBL23312282 0.80 ALDH1A1 (0.50) KDM4EALDH1A1MEN1KMT2AFDFT1
SCHEMBL22550294 0.79 CALM1 (0.55) KDM4EALDH1A1MEN1KMT2AHTT
Water SCHEMBL28646770 0.79 HPGD (0.56) HRH1HPGDSMN1; SMN2DRD2

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-0202838-B1 PROCESS FOR PRODUCTION OF M-PHENOXYBENZYL ALCOHOL MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-09-18 EP disclosed
US-4694110-A Process for production of m-phenoxybenzyl alcohol MITSUI TOATSU CHEMICALS, INC. (JP) 1987-09-15 US disclosed
EP-0202838-A2 Process for production of m-phenoxybenzyl alcohol MITSUI TOATSU CHEMICALS, Inc. (JP) 1986-11-26 EP disclosed