SCHEMBL7434909

SCHEMBL7434909

CCOc1cc(C(C)C)ccc(CO)c1=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.44
BCHE P06276 6/20 0.44
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TBK1 Q9UHD2 1/20 0.41
POLB P06746 1/20 0.40
KMT2A Q03164 2/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 3/20 0.39
GAA P10253 1/20 0.39
TNF P01375 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL11951585 0.87 ACHE (0.44) ACHEBCHEALDH1A1SMN1; SMN2KMT2A
SCHEMBL7434608 0.87 L3MBTL1 (0.41) ACHEBCHEALDH1A1SMN1; SMN2TBK1
SCHEMBL8806406 0.84 HDAC4 (0.46) ACHEBCHEALDH1A1SMN1; SMN2TBK1
SCHEMBL7442073 0.83 TBK1 (0.38) ACHEBCHEALDH1A1SMN1; SMN2TBK1
SCHEMBL7440826 0.82 GLRA1 (0.43) TBK1POLBKMT2AGAAMEN1
SCHEMBL13450382 0.81 ALDH1A1 (0.43) ACHEBCHEALDH1A1SMN1; SMN2KMT2A
SCHEMBL13450387 0.80 ACHE (0.47) ACHEBCHEALDH1A1SMN1; SMN2POLB
SCHEMBL7439510 0.76 BCHE (0.49) ACHEBCHEALDH1A1KMT2AMAPK1
SCHEMBL4163804 0.76 RNASEH1 (0.49) ALDH1A1SMN1; SMN2TBK1KMT2ATSHR
SCHEMBL8913707 0.75 PPARG (0.43) ACHEBCHEALDH1A1SMN1; SMN2KMT2A

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