SCHEMBL5077882

SCHEMBL5077882

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nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.45
FFAR3 O14843 2/20 0.44
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
GPR84 Q9NQS5 4/20 0.39
MAPT P10636 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
GABRR1 P24046 2/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.37

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
SCHEMBL678102 1.00 SLC22A6 (0.45) SLC22A6FFAR3TDP1SMN1; SMN2GPR84
SCHEMBL27945267 0.97 SLC22A6 (0.43) SLC22A6FFAR3TDP1SMN1; SMN2GPR84
SCHEMBL27753421 0.97 SLC22A6 (0.43) SLC22A6FFAR3TDP1SMN1; SMN2GPR84
SCHEMBL17066267 0.89 TDP1 (0.42) SLC22A6FFAR3TDP1SMN1; SMN2GPR84
SCHEMBL9059911 0.87 SLC22A6 (0.42) SLC22A6FFAR3TDP1SMN1; SMN2GPR84
SCHEMBL13403131 0.87 HDAC1 (0.42) SLC22A6FFAR3TDP1GPR84HDAC3
SCHEMBL1572826 0.86 SMN1; SMN2 (0.42) SLC22A6FFAR3TDP1SMN1; SMN2GPR84
SCHEMBL446451 0.86 SLC22A6 (0.46) SLC22A6FFAR3TDP1SMN1; SMN2GPR84
SCHEMBL14359750 0.85 FOLH1 (0.46) FFAR3GPR84HDAC3HDAC1HDAC2
SCHEMBL18222806 0.84 MME (0.39) SLC22A6FFAR3TDP1SMN1; SMN2GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912936-A2 STEREOSELECTIVE SYNTHESIS OF 3,4-DISUBSTITUTED CYCLOPENTANONES AND RELATED COMPOUNDS Pharmacia & Upjohn Company LLC (US) 2008-04-23 EP claimed
WO-2007010387-A2 STEREOSELECTIVE SYNTHESIS OF 3,4-DISUBSTITUTED CYCLOPENTANONES AND RELATED COMPOUNDS PHARMACIA & UPJOHN COMPANY LLC (US) 2007-01-25 WO claimed
EP-1912936-A2 STEREOSELECTIVE SYNTHESIS OF 3,4-DISUBSTITUTED CYCLOPENTANONES AND RELATED COMPOUNDS Pharmacia & Upjohn Company LLC (US) 2008-04-23 EP disclosed
WO-2007010387-A2 STEREOSELECTIVE SYNTHESIS OF 3,4-DISUBSTITUTED CYCLOPENTANONES AND RELATED COMPOUNDS PHARMACIA & UPJOHN COMPANY LLC (US) 2007-01-25 WO disclosed