SCHEMBL11713147

SCHEMBL11713147

CC/C(C)=C/C(=O)OCCOc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.60
RAB9A P51151 5/20 0.48
NPC1 O15118 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
TSHR P16473 1/20 0.48
RECQL P46063 1/20 0.47
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
PKM P14618 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45

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
SCHEMBL11713157 1.00 THRB (0.60) THRBRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL11712717 0.87 THRB (0.59) THRBRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL11712721 0.87 THRB (0.59) THRBRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL11715628 0.85 THRB (0.57) THRBRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL11713127 0.85 THRB (0.57) THRBRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL11715635 0.85 THRB (0.57) THRBRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL11713131 0.85 THRB (0.57) THRBRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL8913452 0.83 THRB (0.62) THRBRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL8913437 0.83 THRB (0.62) THRBRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL28558049 0.80 ELANE (0.45) RAB9ANPC1SMN1; SMN2RECQLMTNR1A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4036984-A PHENOXYETHYL FATTY ACID ESTER NISSAN CHEMICAL INDUSTRIES, LTD. (JA) 1977-07-19 US disclosed