SCHEMBL7653917

SCHEMBL7653917

CCOC(=O)c1cc(N2CCN(C)CC2)c2cc3c(cc2n1)OCO3

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OGA O60502 2/20 0.46
SIRT2 Q8IXJ6 3/20 0.42
SIRT1 Q96EB6 2/20 0.42
SIRT3 Q9NTG7 1/20 0.42
HPGD P15428 3/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ATM Q13315 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK10 P53779 1/20 0.40
TGFBR1 P36897 1/20 0.40

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
SCHEMBL7658990 0.91 OGA (0.45) OGASIRT2SIRT1SIRT3HPGD
SCHEMBL7655787 0.90 OGA (0.44) OGASIRT2SIRT1SIRT3HPGD
SCHEMBL7657251 0.89 L3MBTL1 (0.44) OGASIRT2SIRT1SIRT3HPGD
SCHEMBL7663203 0.81 OGA (0.43) OGAHPGDALDH1A1KDM4EATM
SCHEMBL7657240 0.78 HPGD (0.47) OGASIRT2SIRT1SIRT3HPGD
SCHEMBL7660385 0.72 OGA (0.42) OGAHPGDALDH1A1KDM4EATM
SCHEMBL8211686 0.71 HPGD (0.45) HPGDALDH1A1KDM4ESMN1; SMN2
SCHEMBL7656216 0.71 OGA (0.42) OGAHPGDALDH1A1KDM4EATM
SCHEMBL7661575 0.70 PIK3CB (0.43) OGAHPGDALDH1A1KDM4EATM
SCHEMBL2711543 0.68 NCF1 (0.60) KDM4EMEN1KMT2A

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