SCHEMBL8664322

SCHEMBL8664322

CCCCCCCCCCCCCCCCCCOCC(CO)OCCCCCCCCCc1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.48
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GBA1 P04062 2/20 0.40
UGCG Q16739 2/20 0.40
GBA2 Q9HCG7 2/20 0.40
CNR1 P21554 3/20 0.39
LPAR1 Q92633 4/20 0.38
LPAR3 Q9UBY5 4/20 0.38
LPAR2 Q9HBW0 1/20 0.38

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
SCHEMBL8663631 0.83 PLA2G2A (0.43) CNR2MEN1KMT2AGBA1UGCG
SCHEMBL5376000 0.81 MEN1 (0.48) CNR2MEN1KMT2AGBA1UGCG
SCHEMBL14356211 0.81 MEN1 (0.40) CNR2MEN1KMT2AGBA1UGCG
SCHEMBL9058783 0.79 MEN1 (0.59) MEN1KMT2A
SCHEMBL30345593 0.79 MEN1 (0.59) MEN1KMT2A
SCHEMBL9445539 0.79 MEN1 (0.59) MEN1KMT2A
SCHEMBL9931458 0.79 MEN1 (0.59) MEN1KMT2A
SCHEMBL9299020 0.79 MEN1 (0.59) MEN1KMT2A
SCHEMBL4585929 0.79 MEN1 (0.59) MEN1KMT2A
SCHEMBL8684572 0.79 MEN1 (0.59) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5837202-A METAL CHELATES AS DETECTORS FOR FLUORESCENCE WITH LIPIDS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1998-11-17 US disclosed
US-5616790-A FLUORESCENT CHELATE COMPOUND AS METAL ION DETECTOR CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1997-04-01 US disclosed
WO-1996016327-A1 FLUORESCENT METAL-CHELATING AMPHIPHILE AND SENSOR CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1996-05-30 WO disclosed