SCHEMBL7434608

SCHEMBL7434608

CCCCOc1cc(C(C)C)ccc(CO)c1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
ACHE P22303 5/20 0.40
BCHE P06276 4/20 0.40
CASR P41180 1/20 0.39
TBK1 Q9UHD2 1/20 0.39
SLC2A1 P11166 1/20 0.38
PPARG P37231 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
RORA P35398 1/20 0.37
RORC P51449 1/20 0.37
RORB Q92753 1/20 0.37
HTT P42858 1/20 0.36

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
SCHEMBL7442073 0.88 TBK1 (0.38) L3MBTL1SMN1; SMN2NPC1RAB9AACHE
SCHEMBL7434909 0.87 ACHE (0.44) L3MBTL1SMN1; SMN2ACHEBCHETBK1
SCHEMBL8806406 0.81 HDAC4 (0.46) SMN1; SMN2ACHEBCHETBK1PPARG
SCHEMBL8285983 0.81 ACHE (0.42) L3MBTL1SMN1; SMN2ACHEBCHEALDH1A1
SCHEMBL7440826 0.78 GLRA1 (0.43) TBK1
SCHEMBL7439510 0.78 BCHE (0.49) RAB9AACHEBCHEALDH1A1
SCHEMBL14495326 0.77 CALM1 (0.50) L3MBTL1SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL7434708 0.77 SLC6A2 (0.44) L3MBTL1ALDH1A1
SCHEMBL7915262 0.75 MEN1 (0.52) L3MBTL1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL11951585 0.74 ACHE (0.44) L3MBTL1SMN1; SMN2ACHEBCHEALDH1A1

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