SCHEMBL2583727

SCHEMBL2583727

C=CCCC(NC(C)=O)(C(=O)O)C1CCN(c2ccc(Cl)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.43
ACACB O00763 1/20 0.39
WDR91 A4D1P6 2/20 0.37
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
DRD2 P14416 4/20 0.35
DRD4 P21917 3/20 0.35
MCHR1 Q99705 2/20 0.35
CCR1 P32246 1/20 0.34
FFAR1 O14842 1/20 0.33
AKR1C3 P42330 1/20 0.33
CNR1 P21554 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
SCHEMBL895492 1.00 NOTUM (0.43) NOTUMACACBWDR91MEN1ALDH1A1
SCHEMBL895493 1.00 NOTUM (0.43) NOTUMACACBWDR91MEN1ALDH1A1
SCHEMBL894373 1.00 NOTUM (0.43) NOTUMACACBWDR91MEN1ALDH1A1
SCHEMBL894372 1.00 NOTUM (0.43) NOTUMACACBWDR91MEN1ALDH1A1
SCHEMBL10207359 0.89 NOTUM (0.38) NOTUMACACBWDR91MEN1ALDH1A1
SCHEMBL894851 0.82 KDM4E (0.43) MEN1ALDH1A1MAPTKMT2ADRD2
SCHEMBL894775 0.78 NOTUM (0.38) NOTUMACACBWDR91MEN1ALDH1A1
SCHEMBL895140 0.74 ALDH1A1 (0.31) ALDH1A1DRD4
SCHEMBL10207446 0.72 KDM4E (0.41) MEN1ALDH1A1MAPTKMT2ADRD2
SCHEMBL2576600 0.72 CHRM4 (0.38) ALDH1A1DRD2DRD3THRB

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-2560978-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS Mars, Incorporated (US) 2013-02-27 EP disclosed
WO-2011133653-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS, INCORPORATED (US) 2011-10-27 WO disclosed