SCHEMBL10694540

SCHEMBL10694540

CC(C)(C)c1ccc(CC2CCCN2[Si](C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.41
SIGMAR1 Q99720 5/20 0.40
TEAD1 P28347 2/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
KCNH2 Q12809 1/20 0.36
MAPT P10636 1/20 0.35
PDE2A O00408 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL10695758 0.96 SIGMAR1 (0.41) HRH1SIGMAR1TEAD1KCNH2ALDH1A1
SCHEMBL10693222 0.78 KCNH2 (0.35) KCNH2
SCHEMBL12891082 0.68 SPHK1 (0.60)
SCHEMBL12891081 0.68 SPHK1 (0.60)
SCHEMBL20314569 0.68 SIGMAR1 (0.40) SIGMAR1KCNH2
SCHEMBL20314562 0.68 CARM1 (0.40) SIGMAR1TEAD1KCNH2PDE2AMEN1
SCHEMBL13165310 0.67 SIGMAR1 (0.48) SIGMAR1KCNH2
SCHEMBL20314564 0.66 SIGMAR1 (0.43) SIGMAR1KCNH2
SCHEMBL12891094 0.66 HDAC8 (0.43) SIGMAR1KCNH2ALDH1A1
SCHEMBL4167500 0.66 SIGMAR1 (0.38) SIGMAR1HTR1DHTR1BMEN1KMT2A

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-0241429-A2 Microbicidal silanes CIBA-GEIGY AG (CH) 1987-10-14 EP claimed
US-4762826-A FUNGICIDES FOR PLANTS CIBA-GEIGY CORPORATION (US) 1988-08-09 US disclosed
EP-0241429-A2 Microbicidal silanes CIBA-GEIGY AG (CH) 1987-10-14 EP disclosed