SCHEMBL7448262

SCHEMBL7448262

COc1cc(C(C)C)ccc(C=O)c1=O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.53
ERN1 O75460 3/20 0.51
HDAC4 P56524 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
PTPN1 P18031 1/20 0.47
ALDH1A1 P00352 8/20 0.46
TSHR P16473 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.40
PRKDC P78527 1/20 0.40
TRIM24 O15164 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38
TLR2 O60603 1/20 0.38
TLR1 Q15399 1/20 0.38
TLR6 Q9Y2C9 1/20 0.38
NPBWR1 P48145 1/20 0.37
MCHR1 Q99705 1/20 0.37
NFE2L2 Q16236 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
SCHEMBL2290188 0.88 ALDH1A1 (0.59) TYRERN1HDAC4HDAC8PTPN1
SCHEMBL985519 0.81 ERN1 (0.55) TYRERN1HDAC4HDAC8PTPN1
SCHEMBL31063006 0.81 ERN1 (0.55) TYRERN1HDAC4HDAC8PTPN1
SCHEMBL9156350 0.76 HDAC4 (0.50) ERN1HDAC4HDAC8ALDH1A1TSHR
SCHEMBL4160329 0.76 TYR (0.77) TYRERN1HDAC4HDAC8PTPN1
SCHEMBL24581328 0.74 TYR (0.68) TYRERN1HDAC4HDAC8PTPN1
SCHEMBL2467985 0.74 HDAC4 (0.43) TYRERN1HDAC4HDAC8ALDH1A1
SCHEMBL24680922 0.74 HDAC4 (0.43) TYRERN1HDAC4HDAC8ALDH1A1
SCHEMBL2636573 0.72 ALDH1A1 (0.58) TYRERN1ALDH1A1TSHRKDM4E
SCHEMBL20695877 0.72 TYR (0.66) TYRERN1PTPN1ALDH1A1TSHR

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