SCHEMBL16961065

SCHEMBL16961065

[CH2]C(C)c1cccc(C2CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 6/20 0.41
▸ HDAC4 P56524 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ KMO O15229 1/20 0.35
▸ DRD2 P14416 2/20 0.34
▸ NOTUM Q6P988 2/20 0.34
▸ BCDIN3D Q7Z5W3 1/20 0.34
▸ SOS1 Q07889 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ PRKG1 Q13976 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ KLRK1 P26718 1/20 0.33
▸ MICA Q29983 1/20 0.33
▸ RAET1L Q5VY80 1/20 0.33

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
SCHEMBL16960705 0.93 HDAC4 (0.41) HTR2CHDAC4HDAC2HDAC8KMO
SCHEMBL16957285 0.93 HDAC4 (0.45) HTR2CHDAC4HDAC2HDAC8KMO
SCHEMBL15566600 0.84 HTR2C (0.43) HTR2CHDAC4HDAC2HDAC8KMO
SCHEMBL16959784 0.81 POLB (0.33) —
SCHEMBL14121280 0.81 HTR2C (0.41) HTR2CHDAC4HDAC2HDAC8KMO
SCHEMBL20931702 0.81 HTR2C (0.41) HTR2CHDAC4HDAC2HDAC8KMO
SCHEMBL14157609 0.81 HTR2C (0.41) HTR2CHDAC4HDAC2HDAC8KMO
SCHEMBL31085235 0.81 LMNA (0.44) HTR2CHDAC4HDAC2HDAC8KMO
SCHEMBL16950341 0.79 HTR2C (0.36) HTR2CHDAC4HDAC2HDAC8KMO
Hydrochloric Acid SCHEMBL20916768 0.79 HTR2C (0.42) HTR2CHDAC4HDAC2HDAC8KMO

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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