SCHEMBL14018474

SCHEMBL14018474

C=C(C)OCCOc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.56
KCNA3 P22001 1/20 0.52
ALDH1A1 P00352 3/20 0.52
RECQL P46063 1/20 0.52
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
TSHR P16473 1/20 0.50
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
PKM P14618 2/20 0.48
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
HPGD P15428 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
KMT2A Q03164 1/20 0.47
RELA Q04206 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL11696955 0.93 LTA4H (0.58) THRBKCNA3ALDH1A1RECQLRAB9A
SCHEMBL21371 0.82 TDP1 (0.61) THRBKCNA3ALDH1A1RECQLRAB9A
SCHEMBL28331865 0.80 TDP1 (0.60) THRBALDH1A1RECQLRAB9ANPC1
SCHEMBL144171 0.80 THRB (0.61) THRBKCNA3ALDH1A1RECQLRAB9A
Methacrylic Acid SCHEMBL1350759 0.80 PKM (0.58) THRBKCNA3ALDH1A1RECQLRAB9A
Methacrylic Acid SCHEMBL17911799 0.79 TDP1 (0.58) THRBALDH1A1RAB9ANPC1SMN1; SMN2
Phosphine SCHEMBL21815751 0.78 THRB (0.59) THRBKCNA3ALDH1A1RECQLRAB9A
SCHEMBL1524744 0.78 POLB (0.57) THRBALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL1524479 0.78 POLB (0.57) THRBALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL1173746 0.78 POLB (0.57) THRBALDH1A1RAB9ANPC1SMN1; SMN2

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-7442753-B2 Polymer compound and block polymer compound CANON KABUSHIKI KAISHA (JP) 2008-10-28 US disclosed