SCHEMBL7423568

SCHEMBL7423568

Nc1cc(C(=O)O)ccc1N1CCCC1

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.97
GAA P10253 5/20 0.97
HSD17B10 Q99714 5/20 0.97
POLB P06746 3/20 0.97
TDP1 Q9NUW8 1/20 0.97
L3MBTL1 Q9Y468 1/20 0.97
NR4A1 P22736 1/20 0.70
NPC1 O15118 4/20 0.66
RAB9A P51151 3/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
NPSR1 Q6W5P4 1/20 0.66
ALDH1A1 P00352 5/20 0.56
S100B P04271 1/20 0.54
TSHR P16473 1/20 0.54
HTT P42858 3/20 0.51
HPGD P15428 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 2/20 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
SCHEMBL29805515 0.98 KDM4E (1.00) KDM4EGAAHSD17B10POLBTDP1
SCHEMBL19291349 0.85 KDM4E (0.72) KDM4EGAAHSD17B10POLBTDP1
SCHEMBL15776926 0.85 KDM4E (0.78) KDM4EGAAHSD17B10POLBTDP1
SCHEMBL4433893 0.85 KDM4E (0.77) KDM4EGAAHSD17B10POLBTDP1
SCHEMBL23292230 0.85 GAA (0.77) KDM4EGAAHSD17B10POLBTDP1
SCHEMBL11819784 0.84 NPC1 (0.77) KDM4EGAAHSD17B10POLBTDP1
SCHEMBL29978999 0.83 KDM4E (0.74) KDM4EGAAHSD17B10POLBTDP1
SCHEMBL11818379 0.83 NPC1 (0.75) KDM4EGAAHSD17B10POLBTDP1
SCHEMBL10733821 0.83 NPC1 (0.75) KDM4EGAAHSD17B10POLBTDP1
SCHEMBL13856584 0.83 KDM4E (1.00) KDM4EGAAHSD17B10POLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5210266-A Analgesic enkephalinase inhibitors DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1993-05-11 US disclosed
US-5179125-A Analgesics DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1993-01-12 US disclosed
EP-0318859-A2 N-substituted mercaptopropanamide derivatives Dainippon Pharmaceutical Co., Ltd. (JP) 1989-06-07 EP disclosed