SCHEMBL8419947

SCHEMBL8419947

COCCOC(=O)c1cc(I)ccc1OCCOC

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 3/20 0.40
HTT P42858 2/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 3/20 0.39
ALDH1A1 P00352 2/20 0.38
SERPINE1 P05121 1/20 0.37
FDPS P14324 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CYP1A2 P05177 1/20 0.36
HSP90AA1 P07900 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL13392322 0.90 ALDH1A1 (0.45) MAPTKMT2AKDM4EHTTHPGD
SCHEMBL23882961 0.88 FDPS (0.41) TSHRMAPTPOLBL3MBTL1KMT2A
SCHEMBL13392323 0.85 ALDH1A1 (0.45) TSHRKMT2AKDM4EHTTGAA
SCHEMBL25015012 0.84 MAPT (0.48) MAPTL3MBTL1KMT2AKDM4EHTT
SCHEMBL8419951 0.82 BRPF1 (0.40) TSHRMAPTKMT2AKDM4EHTT
SCHEMBL4359950 0.82 TSHR (0.53) TSHRMAPTPOLBL3MBTL1KMT2A
SCHEMBL24962427 0.81 ALDH1A1 (0.49) TSHRMAPTPOLBL3MBTL1KMT2A
SCHEMBL6491358 0.81 TSHR (0.54) TSHRMAPTPOLBL3MBTL1KMT2A
SCHEMBL15430834 0.80 TSHR (0.50) TSHRMAPTPOLBL3MBTL1KDM4E
SCHEMBL24962709 0.79 TSHR (0.45) TSHRMAPTKMT2AALDH1A1

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
US-5919793-A QUINUCLIDINE DERIVATIVES, SQUALENE SYNTHETASE INHIBITORS, ANTICHOLESTEROL AGENTS ZENECA LIMITED (GB) 1999-07-06 US disclosed
CN-1121718-A Heterocyclic derivatives ZENECA LTD (GB) 1996-05-01 CN disclosed
EP-0696284-A1 HETEROCYCLIC DERIVATIVES ZENECA LIMITED (GB) 1996-02-14 EP disclosed
WO-1994025459-A1 HETEROCYCLIC DERIVATIVES ZENECA LIMITED (GB) 1994-11-10 WO disclosed