SCHEMBL16962103

SCHEMBL16962103

CCCc1ccc(C)cc1C1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
KDM4C Q9H3R0 1/20 0.33
EPHX2 P34913 1/20 0.33
DRD2 P14416 2/20 0.33
DRD4 P21917 2/20 0.33
DRD3 P35462 2/20 0.33
HTR1A P08908 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
DRD1 P21728 1/20 0.32
DRD5 P21918 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32

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
SCHEMBL16954238 0.85 MAPT (0.42) PTGDR2CHRNB2CHRNA4KDM4CDRD2
SCHEMBL16962102 0.80 EPHX2 (0.33) EPHX2
SCHEMBL27057381 0.79 CHRNB2 (0.38) PTGDR2CHRNB2CHRNA4KDM4CDRD2
SCHEMBL21994522 0.79 CHRNB2 (0.38) PTGDR2CHRNB2CHRNA4KDM4CDRD2
SCHEMBL17998791 0.79 CHRNB2 (0.38) PTGDR2CHRNB2CHRNA4KDM4CDRD2
SCHEMBL16955092 0.77 SLC6A2 (0.36) EPHX2DRD2DRD3SLC6A2
SCHEMBL16955090 0.76 EPHX2 (0.31) EPHX2
SCHEMBL16956900 0.76 EPHX2 (0.31) EPHX2
SCHEMBL16956903 0.76 ALDH1A1 (0.31) EPHX2
SCHEMBL21386549 0.76 DRD2 (0.32) PTGDR2DRD2DRD4DRD3TAAR1

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