SCHEMBL11042016

SCHEMBL11042016

C=CC[C@H]1CC[C@H](CC(=O)c2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 2/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
CES1 P23141 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL11042013 1.00 MAPT (0.44) MAPTALDH1A1L3MBTL1KMT2ADRD2
SCHEMBL2632406 0.86 MAPT (0.55) MAPTALDH1A1L3MBTL1KMT2ADRD2
SCHEMBL10979947 0.81 MAPT (0.49) MAPTALDH1A1L3MBTL1KMT2A
SCHEMBL10979948 0.81 MAPT (0.49) MAPTALDH1A1L3MBTL1KMT2A
SCHEMBL2439457 0.79 MAPT (0.56) MAPTALDH1A1L3MBTL1KMT2AKDM4E
SCHEMBL27302185 0.78 HSP90AA1 (0.49) MAPTALDH1A1L3MBTL1KMT2AKDM4E
SCHEMBL1278317 0.78 EPHX2 (0.57) MAPTALDH1A1L3MBTL1KMT2AKDM4E
SCHEMBL2438485 0.78 EPHX2 (0.57) MAPTALDH1A1L3MBTL1KMT2AKDM4E
SCHEMBL28595923 0.78 EPHX2 (0.57) MAPTALDH1A1L3MBTL1KMT2AKDM4E
Hydrochloric Acid SCHEMBL27778609 0.78 MAPT (0.54) MAPTALDH1A1L3MBTL1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0072204-B1 ADDITIVES TO LIQUID CRYSTAL MATERIALS The Secretary of State for Defence in Her Britannic Majesty's Government of the United Kingdom of Great Britain and (GB) 1985-12-04 EP disclosed
US-4482472-A Liquid crystal materials THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITIAN AND NORTHERN IRELAND (GB) 1984-11-13 US disclosed
EP-0072204-A1 Additives to liquid crystal materials The Secretary of State for Defence in Her Britannic Majesty's Government of the United Kingdom of Great Britain and (GB) 1983-02-16 EP disclosed