SCHEMBL3438604

SCHEMBL3438604

C[Si](C)(CN1CCCCC1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 8/20 0.54
ESR1 P03372 2/20 0.54
MGAM O43451 1/20 0.44
SIGMAR1 Q99720 2/20 0.44
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 2/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
Hydrochloric Acid SCHEMBL9655021 0.96 ESRRG (0.53) ESRRGESR1MGAMSIGMAR1SLC6A3
Fumaric Acid SCHEMBL9617890 0.87 ESRRG (0.49) ESRRGESR1MGAMKMT2AHRH3
Fumaric Acid SCHEMBL9617889 0.87 ESRRG (0.49) ESRRGESR1MGAMKMT2AHRH3
Fumaric Acid SCHEMBL9656796 0.85 ESRRG (0.47) ESRRGESR1MGAMKMT2AHRH3
Fumaric Acid SCHEMBL9656789 0.85 ESRRG (0.47) ESRRGESR1MGAMKMT2AHRH3
SCHEMBL434849 0.81 ESRRG (0.55) ESRRGESR1MGAMSIGMAR1
SCHEMBL30576351 0.81 SIGMAR1 (0.50) SIGMAR1SLC6A3KMT2AHRH3ALDH1A1
Hydrochloric Acid SCHEMBL9656694 0.80 ESRRG (0.47) ESRRGESR1SIGMAR1KMT2ARAB9A
Hydrochloric Acid SCHEMBL9656762 0.78 ESRRG (0.45) ESRRGESR1SIGMAR1KMT2ARAB9A
SCHEMBL19256237 0.77 ESRRG (0.46) ESRRGESR1MGAMSIGMAR1

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-20170218151-A1 TRANSFER SHEET AND PROCESS FOR PRODUCING SAME DAIKIN INDUSTRIES, LTD. (JP) 2017-08-03 US disclosed
US-20120100369-A1 TRANSFER SHEET AND PROCESS FOR PRODUCING SAME DAIKIN INDUSTRIES, LTD. (JP) 2012-04-26 US disclosed