SCHEMBL11048489

SCHEMBL11048489

C=CC(=O)Oc1c(/C=C\C)cccc1/C=C\C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.42
NFE2L2 Q16236 2/20 0.38
THRA P10827 1/20 0.36
TYMS P04818 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
NPC1 O15118 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
MAPK1 P28482 2/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
GSR P00390 1/20 0.33
CYP1A1 P04798 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
ALOX5 P09917 1/20 0.32
MAOB P27338 1/20 0.32

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
SCHEMBL11048493 1.00 THRB (0.42) THRBNFE2L2THRATYMSTRPM8
SCHEMBL28212448 0.81 THRB (0.48) THRBNFE2L2THRAMEN1KMT2A
SCHEMBL11064205 0.78 ELANE (0.41) NFE2L2TRPM8MEN1KMT2ANPC1
SCHEMBL11064202 0.78 ELANE (0.41) NFE2L2TRPM8MEN1KMT2ANPC1
SCHEMBL28535471 0.74 NFE2L2 (0.38) NFE2L2TRPM8MEN1KMT2AALDH1A1
SCHEMBL25565205 0.74 L3MBTL1 (0.47) THRBTHRATYMSMEN1KMT2A
SCHEMBL14530180 0.73 ALDH1A1 (0.44) THRBTHRATYMSALDH1A1KDM4E
SCHEMBL29046996 0.72 THRB (0.42) THRBNFE2L2THRATYMSTRPM8
SCHEMBL27685619 0.72 BACE1 (0.38) THRBNFE2L2THRAMEN1KMT2A
SCHEMBL18973455 0.72 THRB (0.46) THRBMEN1KMT2ANPC1ALDH1A1

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
US-4463169-A Three component, carboxyl-containing compositions comprising dimercaptan CIBA-GEIGY CORPORATION (US) 1984-07-31 US disclosed
US-4439291-A Acrylate-containing compositions and their polymerization CIBA-GEIGY CORPORATION (US) 1984-03-27 US disclosed