SCHEMBL16950341

SCHEMBL16950341

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

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 6/20 0.36
▸ HDAC4 P56524 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ KMO O15229 1/20 0.34
▸ NOTUM Q6P988 2/20 0.33
▸ DRD2 P14416 2/20 0.31
▸ DRD3 P35462 1/20 0.31
▸ BCDIN3D Q7Z5W3 1/20 0.31
▸ SLC18A3 Q16572 3/20 0.31
▸ SIGMAR1 Q99720 3/20 0.31
▸ KLRK1 P26718 1/20 0.30
▸ MICA Q29983 1/20 0.30
▸ RAET1L Q5VY80 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
SCHEMBL16957736 0.93 HDAC4 (0.40) HTR2CHDAC4HDAC2HDAC8KMO
SCHEMBL16961241 0.93 HDAC4 (0.44) HTR2CHDAC4HDAC2HDAC8KMO
SCHEMBL16959967 0.82 — —
SCHEMBL16961065 0.79 HTR2C (0.41) HTR2CHDAC4HDAC2HDAC8KMO
SCHEMBL16959998 0.76 HDAC4 (0.38) HTR2CHDAC4HDAC2HDAC8KMO
SCHEMBL16956298 0.76 HTR2C (0.36) HTR2CHDAC4HDAC2HDAC8KMO
SCHEMBL15566600 0.75 HTR2C (0.43) HTR2CHDAC4HDAC2HDAC8KMO
SCHEMBL6935362 0.74 HTR2C (0.52) HTR2CHDAC4HDAC2HDAC8KMO
SCHEMBL16961088 0.73 HTR2C (0.32) HTR2C
SCHEMBL16957285 0.73 HDAC4 (0.45) 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
Send feedback