SCHEMBL7658294

SCHEMBL7658294

CCOC(=O)Cc1c(C(=O)OCC)nc2ccc(OC)cc2c1-c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.47
POLB P06746 2/20 0.47
HPGD P15428 5/20 0.45
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 4/20 0.45
HSD17B10 Q99714 2/20 0.45
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
NPSR1 Q6W5P4 2/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 2/20 0.43
GLA P06280 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
DPP4 P27487 1/20 0.42
TARBP2 Q15633 2/20 0.42
PDCD4 Q53EL6 1/20 0.42
ELANE P08246 1/20 0.42
PLA2G2A P14555 1/20 0.41

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
SCHEMBL16624736 0.79 ALDH1A1 (0.49) GAAHPGDKDM4EALDH1A1HSD17B10
SCHEMBL16624684 0.78 PDE4B (0.49) GAAHPGDKDM4EALDH1A1HSD17B10
SCHEMBL7656886 0.73 PLA2G2A (0.54) GAAPOLBHPGDKDM4EALDH1A1
SCHEMBL8208888 0.72 KDM4E (0.49) GAAPOLBHPGDKDM4EALDH1A1
SCHEMBL10926173 0.72 PTGS2 (0.47) KDM4EALDH1A1HSD17B10NPSR1MEN1
SCHEMBL7653509 0.70 DPP4 (0.48) HPGDKDM4EALDH1A1HSD17B10NPC1
SCHEMBL16624680 0.70 ALDH1A1 (0.53) GAAPOLBHPGDKDM4EALDH1A1
SCHEMBL16505799 0.69 HPGD (0.53) GAAPOLBHPGDKDM4EALDH1A1
SCHEMBL7663206 0.69 PLA2G2A (0.58) GAAPOLBHPGDKDM4EALDH1A1
SCHEMBL28344367 0.69 SHMT2 (0.56) GAAHPGDKDM4EALDH1A1HSD17B10

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-6340704-B1 TREATING NERVE DISEASE OR BONE/JOINT DISEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-01-22 US disclosed
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