SCHEMBL9719722

SCHEMBL9719722

CCOC(=O)/C=C(\C1CCCC1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.41
ALDH1A1 P00352 6/20 0.40
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
HCAR2 Q8TDS4 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
ELANE P08246 1/20 0.33
THRB P10828 1/20 0.33
ATM Q13315 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
GAA P10253 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
SCHEMBL9719724 1.00 NPSR1 (0.41) NPSR1ALDH1A1KMT2AMEN1HCAR2
SCHEMBL13468240 0.76 ALDH1A1 (0.47) NPSR1ALDH1A1KMT2AMEN1HCAR2
SCHEMBL7951918 0.75 HCAR2 (0.44) ALDH1A1KMT2AMEN1HCAR2GAA
SCHEMBL7951921 0.75 HCAR2 (0.44) ALDH1A1KMT2AMEN1HCAR2GAA
SCHEMBL6526076 0.75 ALDH1A1 (0.50) NPSR1ALDH1A1KMT2AMEN1HCAR2
SCHEMBL13468225 0.75 ALDH1A1 (0.50) NPSR1ALDH1A1KMT2AMEN1HCAR2
SCHEMBL6474807 0.75 NPSR1 (0.44) NPSR1ALDH1A1KMT2AMEN1HCAR2
SCHEMBL6474803 0.75 NPSR1 (0.44) NPSR1ALDH1A1KMT2AMEN1HCAR2
SCHEMBL6526079 0.75 ALDH1A1 (0.50) NPSR1ALDH1A1KMT2AMEN1HCAR2
SCHEMBL5611998 0.73 NPSR1 (0.52) NPSR1ALDH1A1KMT2AMEN1HCAR2

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-5173502-A For treating depression, hypertension, parkinson*s disease, asthma, convulasions, platelet aggregation of metabolic disorders ADIR ET COMPAGNIE (FR) 1992-12-22 US disclosed