SCHEMBL6535482

SCHEMBL6535482

CC(=O)Oc1cc(I)cc(I)c1Oc1cccc(I)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
CYP3A4 P08684 1/20 0.40
POLB P06746 2/20 0.39
NLRP3 Q96P20 1/20 0.39
TOP1 P11387 3/20 0.39
MAPT P10636 4/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 3/20 0.38
GAA P10253 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 2/20 0.38
APEX1 P27695 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK1 P28482 2/20 0.37
ACHE P22303 1/20 0.37
MEN1 O00255 2/20 0.36
HTT P42858 1/20 0.35
HPGD P15428 1/20 0.34

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
SCHEMBL6053183 0.82 THRB (0.51) LMNAPOLBMAPTKMT2AALDH1A1
SCHEMBL1513774 0.77 LMNA (0.63) LMNACYP3A4MAPTKMT2AKDM4E
SCHEMBL10846285 0.71 PCNA (0.39) LMNAPOLBMAPK1HPGDSMN1; SMN2
SCHEMBL4683517 0.71 LMNA (0.42) LMNACYP3A4MAPTKMT2AGAA
SCHEMBL196363 0.70 TSHR (0.47) POLBNLRP3TOP1KDM4EGAA
SCHEMBL4303046 0.70 KDM4E (0.43) TOP1KDM4EGAATDP1ALDH1A1
SCHEMBL24407809 0.69 AKR1C3 (0.54) POLBKMT2AKDM4EALDH1A1
SCHEMBL30148759 0.67 ALDH1A1 (0.46) LMNAMAPTKMT2AGAATDP1
SCHEMBL3841098 0.67 ALDH1A1 (0.46) LMNAMAPTKMT2AGAATDP1
SCHEMBL15421621 0.67 THRB (0.70) LMNACYP3A4POLBMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1173163-A4 PHARMACEUTICAL COMPOSITIONS OF TETRAC AND METHODS OF USE THEREOF DANFORTH ELLIOT JR (US) 2004-06-30 EP disclosed
WO-2000064431-A9 PHARMACEUTICAL COMPOSITIONS OF TETRAC AND METHODS OF USE THEREOF DANFORTH ELLIOT JR (US) 2002-02-14 WO disclosed
EP-1173163-A1 PHARMACEUTICAL COMPOSITIONS OF TETRAC AND METHODS OF USE THEREOF Danforth, Elliot, Jr. (US) 2002-01-23 EP disclosed
WO-2000064431-A1 PHARMACEUTICAL COMPOSITIONS OF TETRAC AND METHODS OF USE THEREOF DANFORTH ELLIOT JR (US) 2000-11-02 WO disclosed