SCHEMBL11246201

SCHEMBL11246201

Cc1ccc(S(=O)(=O)OCCC2COc3cc(Cl)c(Cl)cc3O2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.47
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
HTR6 P50406 1/20 0.38
CA1 P00915 2/20 0.37
FFAR1 O14842 1/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PKM P14618 1/20 0.35
MTNR1A P48039 1/20 0.35
RAB9A P51151 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL8123526 0.88 CA2 (0.49) CA2LMNASMN1; SMN2HTR6CA1
SCHEMBL438614 0.88 CA2 (0.49) CA2LMNASMN1; SMN2HTR6CA1
SCHEMBL7966432 0.84 LMNA (0.61) CA2LMNASMN1; SMN2CA1CA9
SCHEMBL17272346 0.82 LMNA (0.45) CA2LMNASMN1; SMN2HTR6CA1
SCHEMBL11102654 0.79 LMNA (0.48) CA2LMNASMN1; SMN2HTR6FFAR1
SCHEMBL8103835 0.77 LMNA (0.46) CA2LMNASMN1; SMN2HTR6FFAR1
SCHEMBL7781985 0.77 LMNA (0.46) CA2LMNASMN1; SMN2HTR6FFAR1
SCHEMBL1117923 0.77 CA2 (0.53) CA2LMNASMN1; SMN2CA1FFAR1
SCHEMBL1044755 0.77 CA2 (0.53) CA2LMNASMN1; SMN2HTR6CA1
SCHEMBL6980879 0.77 CA2 (0.53) CA2LMNASMN1; SMN2HTR6CA1

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-4329348-A ANTIDEPRESSANTS AND PSYCHOSTIMULANTS CIBA-GEIGY CORPORATION (US) 1982-05-11 US disclosed