SCHEMBL16616281

SCHEMBL16616281

C[Si](C)(C)c1c(C(=O)O)ccc(C(=O)O)c1[Si](C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
ALDH1A1 P00352 7/20 0.43
ALOX15 P16050 3/20 0.43
GABRP O00591 2/20 0.43
GABRD O14764 2/20 0.43
GABRA1 P14867 2/20 0.43
GABRB1 P18505 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA5 P31644 2/20 0.43
GABRA3 P34903 2/20 0.43
GABRA2 P47869 2/20 0.43
GABRB2 P47870 2/20 0.43
GABRA4 P48169 2/20 0.43
GABRE P78334 2/20 0.43
GABRA6 Q16445 2/20 0.43
GABRG1 Q8N1C3 2/20 0.43
GABRG3 Q99928 2/20 0.43
GABRQ Q9UN88 2/20 0.43
SELL P14151 1/20 0.41

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
SCHEMBL34472984 0.85 ALDH1A1 (0.52) ALDH1A1ALOX15TDP1KDM4ETSHR
SCHEMBL16615967 0.81 CYP1A2 (0.38) CYP1A2ALDH1A1ALOX15GABRPGABRD
SCHEMBL10348463 0.77 TSHR (0.57) CYP1A2ALDH1A1ALOX15TDP1POLB
SCHEMBL2830597 0.77 ALB (0.55) ALDH1A1ALOX15TDP1KDM4ETSHR
SCHEMBL16443562 0.77 CYP1A2 (0.38) CYP1A2ALDH1A1ALOX15GABRPGABRD
SCHEMBL5711894 0.77 SELL (0.45) CYP1A2ALDH1A1ALOX15GABRPGABRD
SCHEMBL29652155 0.73 TSHR (0.48) ALDH1A1ALOX15SELLSELPTDP1
SCHEMBL34471921 0.72 KEAP1 (0.44) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL9744286 0.70 ACMSD (0.46) CYP1A2KDM4EACMSDSMN1; SMN2
SCHEMBL5834234 0.69 MYC (0.47) ALDH1A1TDP1POLBKDM4ETSHR

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
US-9583280-B2 Electricity storage device ADEKA CORPORATION (JP) 2017-02-28 US disclosed
US-20150206664-A1 ELECTRICITY STORAGE DEVICE ADEKA CORPORATION (JP) 2015-07-23 US disclosed
US-20150099193-A1 ELECTROLYTIC SOLUTION FOR NON-AQUEOUS ENERGY STORAGE DEVICE AND LITHIUM ION SECONDARY BATTERY ASAHI KASEI KABUSHIKI KAISHA (JP) 2015-04-09 US disclosed