SCHEMBL16958910

SCHEMBL16958910

[CH2]C(C=C)c1cccc(C2CC2)c1CC

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.32
▸ PDK4 Q16654 1/20 0.32
▸ ADRA2A P08913 1/20 0.30
▸ ADRA2B P18089 1/20 0.30
▸ ADRA2C P18825 1/20 0.30
▸ DRD2 P14416 1/20 0.30
▸ SLC6A4 P31645 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
SCHEMBL16952945 0.84 ADRA2A (0.34) PDK2PDK4ADRA2AADRA2BADRA2C
SCHEMBL16962219 0.80 GABRA1 (0.33) PDK2PDK4
SCHEMBL16957520 0.79 GBA1 (0.32) ADRA2AADRA2BADRA2CSLC6A4
SCHEMBL16952508 0.79 HTR2C (0.41) PDK2PDK4ADRA2AADRA2BADRA2C
SCHEMBL16952966 0.79 — —
SCHEMBL16960031 0.77 OPRL1 (0.33) ADRA2AADRA2BADRA2C
SCHEMBL16956134 0.76 PDK2 (0.34) PDK2PDK4DRD2SLC6A4
SCHEMBL16956100 0.76 NOTUM (0.33) —
SCHEMBL16962253 0.76 — —
SCHEMBL16951280 0.75 GABRA1 (0.32) —

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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