SCHEMBL7622290

SCHEMBL7622290

C=CCC(Cc1ccc(Cl)cc1)C(NC(=O)O)OCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.38
PPARA Q07869 7/20 0.38
PPARG P37231 7/20 0.38
PSMB5 P28074 1/20 0.38
FFAR1 O14842 1/20 0.37
CNR2 P34972 2/20 0.36
ACACB O00763 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CTSC P53634 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TNF P01375 1/20 0.36
LMNA P02545 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
CCR6 P51684 1/20 0.36
RUNX1 Q01196 1/20 0.36

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
SCHEMBL7619180 0.84 KMT2A (0.42) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL7622306 0.76 PPARG (0.38) EPHX2PPARAPPARGACACBMEN1
SCHEMBL7615213 0.75 MME (0.46) PPARAPPARGPSMB5CNR2ACACB
SCHEMBL26700528 0.71 GAA (0.40) PPARAPPARGPSMB5CNR2ACACB
SCHEMBL12906649 0.70 SLC6A2 (0.48) PPARAPPARGPSMB5ACACBMEN1
SCHEMBL8481611 0.69 FPR2 (0.41) PPARAPPARGPSMB5CNR2ACACB
SCHEMBL5036948 0.69 ACACB (0.51) PSMB5CNR2ACACBCTSCHPGD
SCHEMBL5036248 0.69 ACACB (0.51) PSMB5CNR2ACACBCTSCHPGD
SCHEMBL6584719 0.68 PPARG (0.39) EPHX2PPARAPPARGPSMB5MEN1
SCHEMBL8301284 0.68 PPARG (0.48) EPHX2PPARAPPARGKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0783490-B1 1-ACYL-4-ALIPHATIC AMINOPIPERIDINE COMPOUNDS NOVARTIS AG (CH) 2002-02-06 EP disclosed