SCHEMBL581925

SCHEMBL581925

CN1CC[C@H](c2cc(=O)[nH]o2)C[C@@H]1Cc1ccc(F)cc1F

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLG P00747 13/20 0.48
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ATM Q13315 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL581781 1.00 PLG (0.48) PLGGABRA1GABRG2GABRB3ALDH1A1
SCHEMBL583154 0.92 PLG (0.48) PLGGABRA1GABRG2GABRB3CCNT1
SCHEMBL582115 0.92 PLG (0.48) PLGGABRA1GABRG2GABRB3CCNT1
SCHEMBL581744 0.85 PLG (0.46) PLGGABRA1GABRG2GABRB3ALDH1A1
SCHEMBL27965529 0.85 PLG (0.46) PLGGABRA1GABRG2GABRB3ALDH1A1
SCHEMBL28812553 0.85 PLG (0.46) PLGGABRA1GABRG2GABRB3ALDH1A1
SCHEMBL3075971 0.84 PLG (0.43) PLGALDH1A1TDP1ATMKCNH2
SCHEMBL586721 0.84 PLG (0.43) PLGALDH1A1TDP1ATMKCNH2
SCHEMBL582146 0.84 PLG (0.43) PLGALDH1A1TDP1ATMKCNH2
SCHEMBL587396 0.84 PLG (0.43) PLGALDH1A1TDP1ATMKCNH2

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
EP-2417131-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS AstraZeneca AB (SE) 2012-02-15 EP disclosed
WO-2010117323-A1 METHOD AND APPARATUS FOR PRODUCING HEAT ENERGY AND CARBON DIOXIDE ASTRAZENECA AB (SE) 2010-10-14 WO disclosed