SCHEMBL7434708

SCHEMBL7434708

CC(C)c1ccc(CO)c(=O)c(OCCCN(C)CCc2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44
ATM Q13315 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
SIGMAR1 Q99720 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL7440826 0.80 GLRA1 (0.43) KMT2A
SCHEMBL7436875 0.78 KCNH2 (0.42) SLC6A2SLC6A4SLC6A3ATMALDH1A1
SCHEMBL7434608 0.77 L3MBTL1 (0.41) ALDH1A1L3MBTL1
SCHEMBL7442073 0.76 TBK1 (0.38) ALDH1A1L3MBTL1
SCHEMBL7434909 0.73 ACHE (0.44) ALDH1A1MAPTMAPK1KMT2AL3MBTL1
SCHEMBL7439510 0.72 BCHE (0.49) ALDH1A1MAPK1KMT2ASIGMAR1
SCHEMBL8806406 0.70 HDAC4 (0.46) ALDH1A1MAPTKMT2A
SCHEMBL7915262 0.67 MEN1 (0.52) ALDH1A1MAPTKMT2ASIGMAR1L3MBTL1
SCHEMBL7923139 0.66 MEN1 (0.53) ALDH1A1KMT2ASIGMAR1
SCHEMBL26985749 0.65 SIGMAR1 (0.70) SLC6A2SLC6A4SLC6A3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5703071-A Tropolone derivatives and pharmaceutical composition thereof for preventing and treating ischemic diseases PHARMACIA & UPJOHN COMPANY (US) 1997-12-30 US disclosed
EP-0546102-B1 TROPOLONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION THEREOF FOR PREVENTING AND TREATING ISCHEMIC DISEASES UPJOHN CO (US) 1997-10-15 EP disclosed
US-5594144-A TREATING CEREBROVASCULAR AND CARDIOVASCULAR DISORDERS THE UPJOHN COMPANY (US) 1997-01-14 US disclosed
EP-0546102-A1 TROPOLONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION THEREOF FOR PREVENTING AND TREATING ISCHEMIC DISEASES. UPJOHN CO (US) 1993-06-16 EP disclosed
WO-1992004338-A1 TROPOLONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION THEREOF FOR PREVENTING AND TREATING ISCHEMIC DISEASES THE UPJOHN COMPANY (US) 1992-03-19 WO disclosed