SCHEMBL10692606

SCHEMBL10692606

C[C@@H]1CN(C[Si](C)(C)Cc2ccc(C(C)(C)C)cc2)C[C@H](C)O1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.60
EBP Q15125 1/20 0.58
KCNH2 Q12809 2/20 0.45
ADORA3 P0DMS8 1/20 0.45
CHRM1 P11229 1/20 0.45
DRD3 P35462 1/20 0.45
TEAD1 P28347 2/20 0.40
S1PR1 P21453 4/20 0.39
S1PR4 O95977 3/20 0.39
S1PR5 Q9H228 3/20 0.39
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
S1PR3 Q99500 1/20 0.37
AGTR1 P30556 1/20 0.36
AGTR2 P50052 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
HSD11B1 P28845 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
SCHEMBL10692601 1.00 SIGMAR1 (0.60) SIGMAR1EBPKCNH2ADORA3CHRM1
SCHEMBL11099523 0.83 SIGMAR1 (0.68) SIGMAR1EBPKCNH2ADORA3CHRM1
SCHEMBL10694936 0.82 SIGMAR1 (0.40) SIGMAR1EBPKCNH2ADORA3CHRM1
SCHEMBL10694539 0.79 SIGMAR1 (0.53) SIGMAR1KCNH2TEAD1ALDH1A1
SCHEMBL10695755 0.78 SIGMAR1 (0.55) SIGMAR1KCNH2TEAD1ALDH1A1
Fenpropimorph SCHEMBL9020991 0.73 SIGMAR1 (1.00) SIGMAR1EBPKCNH2ADORA3CHRM1
Fenpropimorph SCHEMBL22362 0.73 SIGMAR1 (1.00) SIGMAR1EBPKCNH2ADORA3CHRM1
Fenpropimorph SCHEMBL22363 0.73 SIGMAR1 (1.00) SIGMAR1EBPKCNH2ADORA3CHRM1
Fenpropimorph SCHEMBL29455102 0.73 SIGMAR1 (1.00) SIGMAR1EBPKCNH2ADORA3CHRM1
Fenpropimorph SCHEMBL7953741 0.73 SIGMAR1 (1.00) SIGMAR1EBPKCNH2ADORA3CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4762826-A FUNGICIDES FOR PLANTS CIBA-GEIGY CORPORATION (US) 1988-08-09 US claimed
US-4762826-A FUNGICIDES FOR PLANTS CIBA-GEIGY CORPORATION (US) 1988-08-09 US disclosed