SCHEMBL9700638

SCHEMBL9700638

OCCCCOc1cccc2c(OCCCCO)cccc12

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.58
CNR1 P21554 3/20 0.58
IDO1 P14902 1/20 0.53
KCNA3 P22001 1/20 0.52
HTR1B P28222 6/20 0.50
HTR1D P28221 1/20 0.50
SLC6A4 P31645 2/20 0.47
HRH1 P35367 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NCF1 P14598 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP2C9 P11712 1/20 0.42

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
SCHEMBL8955641 0.91 CNR2 (0.51) CNR2CNR1IDO1KCNA3HTR1B
SCHEMBL16417099 0.89 CNR2 (0.55) CNR2CNR1IDO1HTR1BHTR1D
SCHEMBL6272756 0.88 KCNA3 (0.69) CNR2CNR1KCNA3HTR1BHTR1D
SCHEMBL1007097 0.87 KCNA3 (0.67) CNR2CNR1KCNA3HTR1BHTR1D
SCHEMBL8955863 0.87 KCNA3 (0.67) CNR2CNR1KCNA3HTR1BHTR1D
SCHEMBL6438840 0.87 KCNA3 (0.67) CNR2CNR1KCNA3HTR1BHTR1D
SCHEMBL8544058 0.87 KCNA3 (0.67) CNR2CNR1KCNA3HTR1BHTR1D
SCHEMBL4647042 0.87 KCNA3 (0.67) CNR2CNR1KCNA3HTR1BHTR1D
SCHEMBL30498761 0.86 IDO1 (0.68) CNR2CNR1IDO1KCNA3HTR1B
SCHEMBL7108654 0.86 IDO1 (0.68) CNR2CNR1IDO1KCNA3HTR1B

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
US-5104959-A POLYURETHANE-BASED REACTIVE ADHESIVES IN WHICH THE ISOCYANATE IS STABILIZED BY A POLYETHER AMINE BAYER AKTIENGESELLSCHAFT (DE) 1992-04-14 US disclosed