SCHEMBL7984700

SCHEMBL7984700

O=C(OCc1cccc(OCCN2CCOCC2)c1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.59
TP53 P04637 1/20 0.59
TSHR P16473 1/20 0.59
ALDH1A1 P00352 4/20 0.55
ROCK2 O75116 1/20 0.54
ROCK1 Q13464 1/20 0.54
ATM Q13315 1/20 0.54
LTA4H P09960 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
EPHX2 P34913 1/20 0.53
MCHR1 Q99705 1/20 0.53
GLS O94925 2/20 0.51

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
SCHEMBL1241355 0.88 LTA4H (0.64) KDM4EALDH1A1ATMLTA4HMCHR1
SCHEMBL1241370 0.82 BCHE (0.64) KDM4EALDH1A1ATMLTA4HL3MBTL1
SCHEMBL3649395 0.82 MRGPRX4 (0.63) KDM4ETP53TSHRALDH1A1ROCK2
Hydrochloric Acid SCHEMBL3647200 0.82 EGFR (0.62) KDM4ETP53TSHRALDH1A1ROCK2
SCHEMBL4629303 0.82 KDM4E (0.67) KDM4ETP53TSHRALDH1A1ROCK2
SCHEMBL4698008 0.81 KDM4E (0.70) KDM4ETP53TSHRALDH1A1EPHX2
SCHEMBL1417060 0.81 L3MBTL1 (0.66) KDM4ETP53TSHRALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL980503 0.81 KDM4E (0.65) KDM4ETP53TSHRALDH1A1ROCK2
SCHEMBL13096987 0.80 MCHR1 (0.68) KDM4ETP53TSHRALDH1A1LTA4H
SCHEMBL3646371 0.80 KDM4E (0.58) KDM4ETP53TSHRALDH1A1ROCK2

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
US-6310070-B1 FOR TREATING NEPHRITIS, IMPROVING PROTEINURIA DUE TO GLOMERULONEPHRITIS AND PREVENTING AGGRAVATION OF NEPHRITIS JAPAN ENERGY CORPORATION (JP) 2001-10-30 US disclosed
EP-0999211-A1 NOVEL PURINE DERIVATIVES AND MEDICINAL USE THEREOF JAPAN ENERGY CORPORATION (JP) 2000-05-10 EP disclosed