SCHEMBL28243797

SCHEMBL28243797

CCCC1COc2ccccc2C1=O

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.63
SIGMAR1 Q99720 2/20 0.52
CYP19A1 P11511 14/20 0.51
HTR1A P08908 1/20 0.49
HDAC1 Q13547 1/20 0.44

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
SCHEMBL10820209 0.84 MAOB (0.63) MAOBSIGMAR1CYP19A1HTR1AHDAC1
SCHEMBL12615157 0.84 MAOB (0.63) MAOBSIGMAR1CYP19A1HTR1AHDAC1
SCHEMBL25082349 0.81 MAOB (0.60) MAOBSIGMAR1CYP19A1HTR1AHDAC1
SCHEMBL25082350 0.81 MAOB (0.56) MAOBSIGMAR1CYP19A1HTR1AHDAC1
SCHEMBL31226865 0.80 MAOB (0.58) MAOBSIGMAR1CYP19A1HTR1AHDAC1
SCHEMBL31524078 0.80 MAOB (0.58) MAOBSIGMAR1CYP19A1HTR1AHDAC1
SCHEMBL27890288 0.80 MAOB (0.67) MAOBSIGMAR1CYP19A1HTR1AHDAC1
SCHEMBL12164223 0.80 MAOB (0.67) MAOBSIGMAR1CYP19A1HTR1AHDAC1
Hydrochloric Acid SCHEMBL11745216 0.80 POLB (0.56) MAOBSIGMAR1CYP19A1HTR1AHDAC1
SCHEMBL7604495 0.79 MAOB (0.61) MAOBSIGMAR1CYP19A1HTR1A

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
CN-108473937-A Stable inoculation compositions and its production method 诺维信生物农业公司 2018-08-31 CN disclosed