SCHEMBL7752860

SCHEMBL7752860

C=CCc1cccc([Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)c1S(=O)(=O)O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
HSD17B10 Q99714 4/20 0.33
GAA P10253 1/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ELANE P08246 2/20 0.31
ALDH1A1 P00352 4/20 0.31
LMNA P02545 1/20 0.31
AKR1B1 P15121 1/20 0.31
KDM4E B2RXH2 3/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL7755424 0.88 GABRA1 (0.36) GABRA1GABRB2HSD17B10GAAPOLB
SCHEMBL7755481 0.84 GABRA1 (0.34) GABRA1GABRB2HSD17B10POLBMEN1
SCHEMBL7756788 0.82 GABRA1 (0.33) GABRA1GABRB2HSD17B10
SCHEMBL5184511 0.79 GABRA1 (0.46) GABRA1GABRB2HSD17B10GAAPOLB
SCHEMBL7752850 0.78 GABRA1 (0.36) GABRA1GABRB2POLBMEN1KMT2A
SCHEMBL7752883 0.78 SLC9A1 (0.33)
SCHEMBL729518 0.76 GABRA1 (0.43) GABRA1GABRB2HSD17B10GAAPOLB
SCHEMBL7755436 0.75
SCHEMBL370628 0.74 GABRA1 (0.49) GABRA1GABRB2HSD17B10GAAPOLB
Ammonia Solution, Strong SCHEMBL9440354 0.73 GABRA1 (0.47) GABRA1GABRB2HSD17B10GAAPOLB

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-2001060932-A1 ANTIFOULING PAINT COMPOSITION J.C. HEMPEL'S SKIBSFARVE-FABRIK A/S (DK) 2001-08-23 WO disclosed