SCHEMBL8211686

SCHEMBL8211686

O=C(O)c1cc(N2CCOCC2)c2cc3c(cc2n1)OCO3

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
ALDH1A1 P00352 3/20 0.45
GAA P10253 3/20 0.45
HSD17B10 Q99714 3/20 0.45
MAPT P10636 3/20 0.45
TP53 P04637 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
TSHR P16473 2/20 0.45
ALOX15 P16050 1/20 0.45
NR1I2 O75469 1/20 0.43
KCNH2 Q12809 1/20 0.43
GRM2 Q14416 1/20 0.43
KMO O15229 1/20 0.42
KDM4E B2RXH2 2/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL7661575 0.86 PIK3CB (0.43) HPGDNPC1RAB9AALDH1A1GAA
SCHEMBL7657251 0.83 L3MBTL1 (0.44) HPGDALDH1A1GAAHSD17B10MAPT
SCHEMBL5241851 0.79 NCF1 (0.64) HPGDNPC1RAB9AALDH1A1GAA
SCHEMBL7660385 0.76 OGA (0.42) HPGDNPC1RAB9AALDH1A1GAA
SCHEMBL7656216 0.75 OGA (0.42) HPGDNPC1RAB9AALDH1A1GAA
SCHEMBL7663203 0.74 OGA (0.43) HPGDNPC1RAB9AALDH1A1HSD17B10
SCHEMBL7658990 0.73 OGA (0.45) HPGDNPC1RAB9AALDH1A1GAA
SCHEMBL7655787 0.72 OGA (0.44) HPGDNPC1RAB9AALDH1A1GAA
SCHEMBL7653917 0.71 OGA (0.46) HPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL6599066 0.70 PIK3CA (0.52) GAAPKMNCF1PIK3CA

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-0975621-A1 CELL DIFFERENTIATION INDUCING AMIDE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2000-02-02 EP disclosed
WO-1998049155-A1 CELL DIFFERENTIATION INDUCING AMIDE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-11-05 WO disclosed