SCHEMBL15445582

SCHEMBL15445582

C=CC(=O)OCC1C2=C(C=CCC2)C=Cc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.33
THRB P10828 1/20 0.33
HTR2A P28223 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
SCHEMBL67486 0.82 HTR2A (0.43) RETTHRBHTR2A
SCHEMBL68446 0.68 KMT2A (0.51) THRBHTR2A
SCHEMBL12735511 0.64 RET (0.39) RETTHRBHTR2A
SCHEMBL19919301 0.64 THRB (0.42) RETTHRB
SCHEMBL13461229 0.64 KMT2A (0.36)
SCHEMBL13244089 0.61 THRB (0.48) THRBHTR2A
SCHEMBL5209268 0.61 THRB (0.38) THRB
Indene SCHEMBL28185675 0.60 MGLL (0.44) THRB
SCHEMBL4839883 0.60 EPHX2 (0.43) THRBHTR2A
SCHEMBL5208290 0.59 THRB (0.36) THRB

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-2088176-B2 Ink composition, inkjet recording method, printed material, and molded printed material FUJIFILM CORP (JP) 2017-06-14 EP disclosed
EP-2088176-B1 Ink composition, inkjet recording method, printed material, and molded printed material FUJIFILM CORP (JP) 2014-01-29 EP disclosed