SCHEMBL16961783

SCHEMBL16961783

[CH2]C(C=C)c1cccc(C2CC2)c1OC

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 2/20 0.34
▸ ALOX5AP P20292 4/20 0.33
▸ FEN1 P39748 4/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ ADRA2B P18089 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ DRD2 P14416 1/20 0.30

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
SCHEMBL16957520 0.85 GBA1 (0.32) ADRA2AADRA2BADRA2C
SCHEMBL16962728 0.84 ADRA2A (0.37) HTR2CALOX5APFEN1ADRA2AADRA2B
SCHEMBL16958773 0.79 HTR2C (0.33) HTR2CALOX5APFEN1ADRA2AADRA2B
SCHEMBL16952508 0.79 HTR2C (0.41) HTR2CADRA2AADRA2BADRA2C
SCHEMBL16960031 0.77 OPRL1 (0.33) ADRA2AADRA2BADRA2C
SCHEMBL17551799 0.76 ADRA2A (0.36) HTR2CALOX5APFEN1ADRA2AADRA2B
SCHEMBL16957750 0.76 HTR2C (0.37) HTR2CALOX5APFEN1DRD2
SCHEMBL16952966 0.76 — —
SCHEMBL16962253 0.76 — —
SCHEMBL16956100 0.76 NOTUM (0.33) —

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-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 — — EP disclosed
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