SCHEMBL8765694

SCHEMBL8765694

CCCCCCNCCCCCCOc1cccc(O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.61
CNR1 P21554 3/20 0.56
CNR2 P34972 3/20 0.56
TSHR P16473 1/20 0.55
SMPD1 P17405 3/20 0.53
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
NR5A1 Q13285 1/20 0.53
DRD2 P14416 1/20 0.52
DRD4 P21917 1/20 0.52
ADRA1D P25100 1/20 0.52
ADRA1A P35348 1/20 0.52
ADRA1B P35368 1/20 0.52
DRD3 P35462 1/20 0.52
CYP2D6 P10635 2/20 0.51
CHRNB2 P17787 1/20 0.51
CHRNA4 P43681 1/20 0.51
CYP1A2 P05177 1/20 0.51
MAPK1 P28482 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL29109 0.91 TSHR (0.65) CNR1CNR2TSHRSMPD1NR5A1
SCHEMBL9717882 0.91 TSHR (0.65) CNR1CNR2TSHRSMPD1NR5A1
SCHEMBL674717 0.91 TSHR (0.65) CNR1CNR2TSHRSMPD1NR5A1
SCHEMBL876100 0.91 TSHR (0.65) CNR1CNR2TSHRSMPD1NR5A1
SCHEMBL22207358 0.91 TSHR (0.65) CNR1CNR2TSHRSMPD1NR5A1
SCHEMBL22207094 0.91 TSHR (0.65) CNR1CNR2TSHRSMPD1NR5A1
SCHEMBL22207439 0.91 TSHR (0.65) CNR1CNR2TSHRSMPD1NR5A1
SCHEMBL22207445 0.91 TSHR (0.65) CNR1CNR2TSHRSMPD1NR5A1
SCHEMBL22207466 0.91 TSHR (0.65) CNR1CNR2TSHRSMPD1NR5A1
SCHEMBL7259108 0.91 TSHR (0.65) CNR1CNR2TSHRSMPD1NR5A1

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-0778267-A1 SULFONAMIDE DERIVATIVES AND INSECTICIDE, MITICIDE AND NEMATICIDE CONTAINING THE SAME OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1997-06-11 EP disclosed