SCHEMBL1697463

SCHEMBL1697463

O=C(O)[C@H]1CCCN1C(=O)Oc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 1.00
SMN1; SMN2 Q16637 2/20 1.00
MAPK1 P28482 2/20 0.69
KDM4E B2RXH2 1/20 0.69
NPSR1 Q6W5P4 2/20 0.62
POLB P06746 1/20 0.62
HTT P42858 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.59
PABPC1 P11940 1/20 0.58
CHRNA7 P36544 1/20 0.56
HTR3A P46098 1/20 0.56
RAB9A P51151 2/20 0.51
GAA P10253 1/20 0.51
NPC1 O15118 1/20 0.51
ITGB3 P05106 1/20 0.50
ITGB1 P05556 1/20 0.50
ITGAV P06756 1/20 0.50
ITGA5 P08648 1/20 0.50
ITGA4 P13612 1/20 0.50

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
SCHEMBL2747664 1.00 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2MAPK1KDM4ENPSR1
SCHEMBL5259296 1.00 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2MAPK1KDM4ENPSR1
SCHEMBL7871674 0.90 SMN1; SMN2 (0.82) ALDH1A1SMN1; SMN2MAPK1KDM4ENPSR1
SCHEMBL4602203 0.88 ALDH1A1 (0.78) ALDH1A1SMN1; SMN2MAPK1KDM4ENPSR1
SCHEMBL1697444 0.88 ALDH1A1 (0.78) ALDH1A1SMN1; SMN2MAPK1KDM4ENPSR1
SCHEMBL11424044 0.87 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2MAPK1KDM4ENPSR1
SCHEMBL28617751 0.84 SMN1; SMN2 (0.72) ALDH1A1SMN1; SMN2MAPK1KDM4ENPSR1
SCHEMBL2748801 0.83 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2MAPK1KDM4ENPSR1
SCHEMBL7429992 0.82 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2MAPK1KDM4ENPSR1
SCHEMBL5697246 0.81 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2MAPK1KDM4ENPSR1

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-2012004811-A1 PROCESS FOR THE PREPARATION OF 5-SUBSTSITUTED INDOLE DERIVATIVE IND-SWIFT LABORATORIES LIMITED (IN) 2012-01-12 WO disclosed