SCHEMBL11546189

SCHEMBL11546189

CCSC(O)C(=O)O.C[Sn](C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.35
FFAR1 O14842 1/20 0.35
OR51E2 Q9H255 1/20 0.35
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TET2 Q6N021 3/20 0.31
KDM4A O75164 2/20 0.31
KDM4C Q9H3R0 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
SCHEMBL155485 0.93
Ammonia Solution, Strong SCHEMBL28110714 0.90
SCHEMBL27627625 0.90
SCHEMBL28110716 0.90
SCHEMBL28111297 0.90
Benzene SCHEMBL27616214 0.88 GPR84 (0.37) GPR84FFAR1OR51E2TP53SMN1; SMN2
Methylene Chloride SCHEMBL28307102 0.86 GPR84 (0.35) GPR84FFAR1OR51E2TP53SMN1; SMN2
Glycolic Acid SCHEMBL28094374 0.84 OR51E2 (0.39) GPR84FFAR1OR51E2TP53SMN1; SMN2
Decane SCHEMBL28043272 0.82 GPR84 (0.57) GPR84FFAR1OR51E2TDP1
Tetradecane SCHEMBL27553021 0.82 GPR84 (0.57) GPR84FFAR1OR51E2TDP1

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
US-4179432-A 2-HYDROXYBENZOPHENONE, ORGANOTIN MERCAPTIDE PHOTOSTABILITY CINCINNATI MILACRON CHEMICALS, INC. (US) 1979-12-18 US disclosed