SCHEMBL6533183

SCHEMBL6533183

CCCCCOC(=O)c1cc2ccccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.58
DRD3 P35462 1/20 0.58
KDM4E B2RXH2 6/20 0.57
ALDH1A1 P00352 5/20 0.57
LMNA P02545 4/20 0.57
HPGD P15428 3/20 0.57
RAB9A P51151 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MAPT P10636 2/20 0.57
MMP1 P03956 1/20 0.57
MMP9 P14780 1/20 0.57
MMP12 P39900 1/20 0.57
MEN1 O00255 1/20 0.57
NPC1 O15118 1/20 0.57
GLA P06280 1/20 0.57
GAA P10253 1/20 0.57
KMT2A Q03164 1/20 0.57
ATM Q13315 1/20 0.57
TSHR P16473 4/20 0.56
MAPK1 P28482 2/20 0.56

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
SCHEMBL5935742 0.99 GPR84 (0.58) DRD2DRD3KDM4EALDH1A1LMNA
SCHEMBL5289613 0.96 DRD2 (0.59) DRD2DRD3KDM4EALDH1A1LMNA
SCHEMBL7169528 0.90 KDM4E (0.61) DRD2DRD3KDM4EALDH1A1LMNA
SCHEMBL4519869 0.87 AKR1C3 (0.58) DRD2DRD3KDM4EALDH1A1LMNA
SCHEMBL24960989 0.86 KDM4E (0.56) DRD2DRD3KDM4EALDH1A1LMNA
SCHEMBL4529329 0.86 KDM4E (0.52) DRD2DRD3KDM4EALDH1A1LMNA
SCHEMBL22265093 0.86 KDM4E (0.58) DRD2DRD3KDM4EALDH1A1LMNA
SCHEMBL29580772 0.84 KDM4E (0.78) DRD2DRD3KDM4EALDH1A1LMNA
SCHEMBL42002 0.84 KDM4E (0.78) DRD2DRD3KDM4EALDH1A1LMNA
SCHEMBL31310255 0.84 RAB9A (0.75) KDM4EALDH1A1LMNAHPGDRAB9A

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
WO-2005040073-A2 SOLID PHASE SYNTHESIS OF 3-ARYL-2- INDOLYLCARBOXYLIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2005-05-06 WO disclosed