SCHEMBL7684805

SCHEMBL7684805

C=C(C)COCC1Cc2ccccc2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.39
CYP19A1 P11511 1/20 0.35
MTNR1A P48039 4/20 0.33
MTNR1B P49286 4/20 0.33
PTGIR P43119 4/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
PTGDR Q13258 1/20 0.33
DRD3 P35462 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
GFER P55789 1/20 0.33
KMT2A Q03164 1/20 0.33
GPR174 Q9BXC1 1/20 0.32
ADRA2A P08913 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
SCHEMBL7685077 0.79 IDO1 (0.41) IDO1CYP19A1MTNR1AMTNR1BADRA1D
SCHEMBL10447562 0.76 IDO1 (0.44) IDO1CYP19A1DRD3ADRA2A
SCHEMBL19645163 0.75 IDO1 (0.44) IDO1MTNR1AMTNR1BDRD3MEN1
SCHEMBL7680750 0.73 HTR6 (0.42) IDO1MTNR1AMTNR1BADRA1A
SCHEMBL12851335 0.71 HTR2A (0.41) IDO1CYP19A1ADRA1DADRA1AADRA1B
SCHEMBL7676484 0.71 ALDH1A1 (0.41) IDO1CYP19A1ADRA1DADRA1AADRA1B
SCHEMBL7685050 0.71 ALDH1A1 (0.44) IDO1MTNR1AMTNR1B
SCHEMBL2741074 0.71 IDO1 (0.47) IDO1CYP19A1ADRA1DADRA1AADRA1B
SCHEMBL18785885 0.69 MTNR1A (0.42) IDO1MTNR1AMTNR1BADRA1DADRA1A
Catechol SCHEMBL10642410 0.67 MAPT (0.46) IDO1MEN1GAAMAPTALOX15

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6362141-B1 ORGANOLEPTIC; PERFUMES, COSMETICS, CLEANING COMPOUNDS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2002-03-26 US disclosed
US-6342612-B1 FRAGRANCES INTERNATIONAL FLAVORS & FRAGRANCES INC. 2002-01-29 US disclosed