SCHEMBL16952964

SCHEMBL16952964

C=C[C](C)c1cccc(C2CC2)c1C=C

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.33
▸ HCRTR1 O43613 1/20 0.31
▸ HCRTR2 O43614 1/20 0.31

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
SCHEMBL16955618 0.87 NOTUM (0.35) NOTUMHCRTR1HCRTR2
SCHEMBL16952506 0.82 HTR2C (0.40) NOTUM
SCHEMBL16962411 0.81 HCRTR1 (0.32) NOTUMHCRTR1HCRTR2
SCHEMBL16958908 0.81 HCRTR1 (0.32) NOTUMHCRTR1HCRTR2
SCHEMBL16960028 0.81 TAS1R3 (0.34) NOTUM
SCHEMBL16956098 0.81 NOTUM (0.39) NOTUM
SCHEMBL16962251 0.81 NOTUM (0.33) NOTUM
SCHEMBL16961779 0.78 TDP1 (0.35) NOTUM
SCHEMBL16957517 0.78 HCRTR1 (0.31) NOTUMHCRTR1HCRTR2
SCHEMBL16954608 0.77 PDCD1 (0.35) NOTUMHCRTR1HCRTR2

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
Send feedback