SCHEMBL6833674

SCHEMBL6833674

CCCCCCCCCCCCN[Hf](Cl)(Cl)(C1C=Cc2ccccc21)[SiH](c1ccccc1)c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.32
EPHX1 P07099 3/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
KDM4E B2RXH2 2/20 0.31
NAAA Q02083 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CHRM2 P08172 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD2 P14416 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
NFKB1 P19838 1/20 0.31
CHRM3 P20309 1/20 0.31
SLC6A2 P23975 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31

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
SCHEMBL6837862 0.91 SIGMAR1 (0.34) SIGMAR1KDM4ELMNATP53CHRM2
SCHEMBL5852540 0.82 EPHX2 (0.39) ALDH1A1MEN1KMT2A
SCHEMBL5854309 0.82 EPHX2 (0.39) ALDH1A1MEN1KMT2A
SCHEMBL5853445 0.81 EPHX2 (0.37) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL5853443 0.79 ALDH1A1 (0.34) ALDH1A1HTTKDM4EMEN1KMT2A
SCHEMBL6840562 0.78
SCHEMBL5856663 0.77 SIGMAR1 (0.33) SIGMAR1
SCHEMBL5853677 0.76 ALOX5 (0.34) ALDH1A1HTTKDM4ELMNACYP3A4
SCHEMBL5855014 0.76 MAPK1 (0.41) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL5852698 0.76 SIGMAR1 (0.31) SIGMAR1CYP3A4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004106394-A1 COPOLYMERS OF ETHYLENE AND/OR α-OLEFINS AND VICINALLY DISUBSTITUTED OLEFINS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-12-09 WO disclosed