SCHEMBL8595155

SCHEMBL8595155

O=C(OCCOc1ccccc1)c1ccccc1O.O=C(OCCOc1ccccc1)c1ccccc1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.69
NPC1 O15118 3/20 0.69
HPGD P15428 2/20 0.69
HSD17B10 Q99714 2/20 0.69
ALDH1A1 P00352 2/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
KDM4E B2RXH2 1/20 0.69
NFKB1 P19838 1/20 0.69
NFKB2 Q00653 1/20 0.69
RELA Q04206 1/20 0.69
TDP1 Q9NUW8 2/20 0.67
ALOX15 P16050 1/20 0.59
THRB P10828 1/20 0.53
MMP1 P03956 1/20 0.52
MMP12 P39900 1/20 0.52
TSHR P16473 3/20 0.51
MAPT P10636 2/20 0.50
PKM P14618 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
SCHEMBL11823795 1.00 RAB9A (0.69) RAB9ANPC1HPGDHSD17B10ALDH1A1
Phenoxyethanol SCHEMBL8190907 0.90 RAB9A (0.58) RAB9ANPC1HPGDHSD17B10ALDH1A1
SCHEMBL11327387 0.90 ALDH1A1 (0.78) RAB9ANPC1HPGDHSD17B10ALDH1A1
SCHEMBL8667154 0.88 L3MBTL1 (0.62) RAB9ANPC1HPGDHSD17B10ALDH1A1
SCHEMBL6063013 0.88 TDP1 (0.85) RAB9ANPC1HPGDHSD17B10ALDH1A1
SCHEMBL30416074 0.88 TDP1 (0.85) RAB9ANPC1HPGDHSD17B10ALDH1A1
SCHEMBL9084143 0.86 L3MBTL1 (0.60) RAB9ANPC1HPGDHSD17B10ALDH1A1
SCHEMBL1286852 0.85 ALDH1A1 (0.71) RAB9ANPC1HPGDHSD17B10ALDH1A1
SCHEMBL30377181 0.85 RAB9A (0.58) RAB9ANPC1HPGDHSD17B10ALDH1A1
SCHEMBL29175122 0.85 HPGD (0.61) RAB9ANPC1HPGDHSD17B10ALDH1A1

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-0817607-A1 LIQUID CLEANSING FORMULATIONS UNILEVER PLC (GB) 1998-01-14 EP disclosed
WO-1996029049-A1 LIQUID CLEANSING FORMULATIONS UNILEVER PLC (GB) 1996-09-26 WO disclosed