SCHEMBL8735071

SCHEMBL8735071

C=CC(=O)OCCOc1ccccc1.CC(=CCc1ccccc1)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.68
SMN1; SMN2 Q16637 4/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
KDM4E B2RXH2 3/20 0.40
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
HPGD P15428 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PKM P14618 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL1395906 0.83 THRB (0.52) THRBMEN1KMT2ATSHRALDH1A1
SCHEMBL8945443 0.83 ALDH1A1 (0.49) THRBKMT2ATSHRALDH1A1L3MBTL1
Methacrylic Acid SCHEMBL20875123 0.83 THRB (0.82) THRBSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL28315275 0.83 THRB (0.93) THRBSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL28230342 0.83 THRB (1.00) THRBSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL34035 0.83 THRB (1.00) THRBSMN1; SMN2MEN1KMT2AKDM4E
Bromide SCHEMBL31049797 0.81 THRB (0.97) THRBSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL27842581 0.81 THRB (0.97) THRBSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL8735066 0.80 THRB (0.72) THRBSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL3267903 0.80 THRB (0.51) THRBSMN1; SMN2MEN1KMT2AKDM4E

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
EP-0640672-B1 Anaerobically-curable flexible sealant compositions LOCTITE IRELAND LTD (IE) 1998-03-11 EP claimed