SCHEMBL7767743

SCHEMBL7767743

Fc1cc(Br)ccc1OCCC(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.43
NSD3 Q9BZ95 1/20 0.43
HTR2A P28223 2/20 0.40
EPHX2 P34913 1/20 0.40
AAK1 Q2M2I8 2/20 0.40
KDM1A O60341 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
MCHR1 Q99705 1/20 0.37
IDO1 P14902 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC6A4 P31645 1/20 0.36
HPGD P15428 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
SCHEMBL30294093 0.89 NSD2 (0.41) NSD2NSD3AAK1KDM1AKDM4E
SCHEMBL20911814 0.83 AAK1 (0.46) NSD2NSD3AAK1KDM4EPOLB
SCHEMBL6688689 0.82 AAK1 (0.47) NSD2NSD3AAK1KDM4EPOLB
SCHEMBL7769950 0.80 NSD2 (0.46) NSD2NSD3HTR2AAAK1KDM1A
SCHEMBL1824099 0.80 NSD2 (0.46) NSD2NSD3AAK1KDM1AKDM4E
SCHEMBL1821512 0.79 NSD2 (0.45) NSD2NSD3AAK1KDM1AKDM4E
SCHEMBL3189588 0.79 KDM4E (0.45) NSD2NSD3AAK1KDM1AKDM4E
SCHEMBL848521 0.79 NSD2 (0.45) NSD2NSD3HTR2AAAK1KDM1A
SCHEMBL5881114 0.79 HPGD (0.55) NSD2NSD3AAK1KDM4EPOLB
SCHEMBL27738395 0.79 NSD2 (0.45) NSD2NSD3AAK1KDM1AKDM4E

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-0727428-B1 Novel silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the compositions SHINETSU CHEMICAL CO (JP) 2001-06-06 EP disclosed
US-5665271-A Silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the compositions SHIN-ETSU CHEMICAL CO., LTD. (JP) 1997-09-09 US disclosed
EP-0727428-A1 Novel silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the compositions SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-08-21 EP disclosed