SCHEMBL18726697

SCHEMBL18726697

CC1=CC(c2cccc(O)c2)CC=C1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 9/20 0.41
DRD2 P14416 8/20 0.41
DRD4 P21917 8/20 0.40
HTR1A P08908 6/20 0.40
DRD1 P21728 6/20 0.40
DRD5 P21918 6/20 0.40
SIGMAR1 Q99720 3/20 0.40
NFKB1 P19838 1/20 0.40
PRCP P42785 1/20 0.40
EBP Q15125 1/20 0.40

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
SCHEMBL28015151 0.77 DRD3 (0.45) DRD3DRD2
SCHEMBL27450334 0.73 CA12 (0.48) DRD3DRD2
SCHEMBL22296372 0.71 SLC6A2 (0.50)
SCHEMBL17302962 0.67 DRD2 (0.43) DRD3DRD2
SCHEMBL1608042 0.67 DRD2 (0.59) DRD3DRD2DRD4HTR1ADRD1
SCHEMBL29427014 0.67 DRD2 (0.59) DRD3DRD2DRD4HTR1ADRD1
SCHEMBL1661863 0.64 HDAC4 (0.61) DRD3DRD2DRD4SIGMAR1NFKB1
SCHEMBL1658753 0.64 HDAC4 (0.56) DRD3DRD2DRD4SIGMAR1NFKB1
SCHEMBL23123632 0.63 DRD3 (0.58) DRD3DRD2DRD4HTR1ADRD1
SCHEMBL29786277 0.63 DRD3 (0.58) DRD3DRD2DRD4HTR1ADRD1

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-3153499-A1 METHOD FOR PRODUCING N-SUBSTITUTED CARBAMIC ACID ESTER ASAHI KASEI KABUSHIKI KAISHA (JP) 2017-04-12 EP disclosed