SCHEMBL21985342

SCHEMBL21985342

COc1cccc(OC)c1C1C(=O)CCCC1O

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 18/20 0.46
HCRTR2 O43614 18/20 0.46
POLL Q9UGP5 1/20 0.44

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
SCHEMBL19773850 0.81 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL17382579 0.74 TP53 (0.46) HCRTR1HCRTR2POLL
SCHEMBL17376705 0.74 HCRTR2 (0.43) HCRTR1HCRTR2POLL
SCHEMBL19773817 0.72 HCRTR1 (0.35) HCRTR1HCRTR2
SCHEMBL19773914 0.71 HCRTR1 (0.34) HCRTR1HCRTR2
SCHEMBL23256884 0.70 MCL1 (0.42)
SCHEMBL28476476 0.70 KMT2A (0.45) HCRTR1HCRTR2POLL
SCHEMBL11224539 0.68 CRHBP (0.43) HCRTR1HCRTR2
SCHEMBL4536295 0.68 PDE4A (0.45) HCRTR1HCRTR2
SCHEMBL11229583 0.68 HCRTR1 (0.39) HCRTR1HCRTR2POLL

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-3160950-B1 HERBICIDAL PROPYNYL-PHENYL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2020-05-13 EP disclosed