SCHEMBL7756902

SCHEMBL7756902

C=CCc1cccc([SiH2]CC(C)C)c1S(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
POLB P06746 1/20 0.33
LMNA P02545 4/20 0.32
ADRB2 P07550 3/20 0.32
ADRB1 P08588 3/20 0.32
ADRA2C P18825 2/20 0.32
HTR1A P08908 1/20 0.32
ADRB3 P13945 1/20 0.32
SLC6A2 P23975 1/20 0.32
BDKRB2 P30411 1/20 0.32
SLC6A4 P31645 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32
KCNH2 Q12809 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
KDM4E B2RXH2 2/20 0.31

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
SCHEMBL7756138 0.82 SLC9A1 (0.32)
SCHEMBL729518 0.75 GABRA1 (0.43) GABRA1GABRB2POLBKDM4EELANE
SCHEMBL4464469 0.75 GABRA1 (0.43) GABRA1GABRB2POLBLMNACYP1A2
SCHEMBL7752850 0.75 GABRA1 (0.36) GABRA1GABRB2POLBLMNAADRB2
SCHEMBL5184511 0.75 GABRA1 (0.46) GABRA1GABRB2POLBLMNAKDM4E
Methane SCHEMBL27309395 0.74 GABRA1 (0.42) GABRA1GABRB2POLBCYP1A2KDM4E
SCHEMBL370628 0.73 GABRA1 (0.49) GABRA1GABRB2POLBLMNAKDM4E
Ammonia Solution, Strong SCHEMBL9440354 0.72 GABRA1 (0.47) GABRA1GABRB2POLBLMNAKDM4E
SCHEMBL7756788 0.71 GABRA1 (0.33) GABRA1GABRB2ADRA2CADRA2AADRA2B
SCHEMBL7755481 0.70 GABRA1 (0.34) GABRA1GABRB2POLBLMNAADRB2

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 claimed