SCHEMBL17872724

SCHEMBL17872724

O=C(O)NC1(c2ccc(Cl)cc2)CC(O)C1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
WDR91 A4D1P6 5/20 0.41
PTGS2 P35354 1/20 0.41
CCR2 P41597 1/20 0.39
HDAC4 P56524 1/20 0.38
HSD11B1 P28845 3/20 0.38
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
KDM1A O60341 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
EPHX2 P34913 1/20 0.35
P2RX7 Q99572 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL17872726 1.00 WDR91 (0.41) WDR91PTGS2CCR2HDAC4HSD11B1
SCHEMBL17872779 0.85 HDAC4 (0.41) WDR91PTGS2CCR2HDAC4HSD11B1
SCHEMBL17872781 0.85 HDAC4 (0.41) WDR91PTGS2CCR2HDAC4HSD11B1
SCHEMBL15911420 0.83 DGAT2 (0.38) HSD11B1MAOAMAOBHDAC3HDAC1
SCHEMBL1560775 0.83 DGAT2 (0.38) HSD11B1MAOAMAOBHDAC3HDAC1
SCHEMBL15258671 0.82 HDAC3 (0.47) WDR91PTGS2CCR2HDAC4HSD11B1
SCHEMBL16161986 0.79 HDAC4 (0.47) WDR91CCR2HDAC4HSD11B1HDAC3
SCHEMBL2033871 0.74 LIPG (0.41)
SCHEMBL14541574 0.74 TET3 (0.48) PTGS2CCR2HDAC4HSD11B1MAOA
SCHEMBL349710 0.74 TET3 (0.48) PTGS2CCR2HDAC4HSD11B1MAOA

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-3240784-A2 INHIBITORS OF AKT KINASE BerGenBio ASA (NO) 2017-11-08 EP disclosed
WO-2016102672-A2 PHARMACEUTICALLY ACTIVE COMPOUNDS BERGENBIO AS (NO) 2016-06-30 WO disclosed