SCHEMBL11052855

SCHEMBL11052855

Cc1ccc(S(OS(C)(=O)=O)(c2ccc(C)cc2)c2ccc(Oc3ccccc3)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
FFAR1 O14842 1/20 0.57
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
LMNA P02545 4/20 0.50
SOS1 Q07889 1/20 0.50
NR3C1 P04150 1/20 0.50
CYP2C9 P11712 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
PGR P06401 2/20 0.46
MAPT P10636 1/20 0.44
KDM4E B2RXH2 2/20 0.44
PTGES O14684 1/20 0.43
ALOX5 P09917 1/20 0.43
MMP13 P45452 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL9155335 0.93 SOS1 (0.56) HTTSMN1; SMN2FFAR1LMNASOS1
SCHEMBL11052595 0.92 SOS1 (0.55) HTTSMN1; SMN2FFAR1LMNASOS1
SCHEMBL4365042 0.88 HTT (0.49) HTTSMN1; SMN2FFAR1TDP1L3MBTL1
SCHEMBL11049593 0.87 LTA4H (0.58) HTTSMN1; SMN2LMNASOS1NR3C1
SCHEMBL7575512 0.84 GAA (0.52) HTTSMN1; SMN2TDP1CYP2C9CYP1A2
SCHEMBL11050731 0.83 SMN1; SMN2 (0.45) HTTSMN1; SMN2TDP1LMNACYP2C9
SCHEMBL12643091 0.81 HTT (1.00) HTTSMN1; SMN2FFAR1TDP1L3MBTL1
SCHEMBL8965120 0.81 HTT (1.00) HTTSMN1; SMN2FFAR1TDP1L3MBTL1
SCHEMBL11051262 0.81 LTA4H (0.64) HTTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL207124 0.78 HTR6 (0.46) SMN1; SMN2TDP1LMNAMAPTKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4451408-A Process of preparing sulfonium organosulfonates THE DOW CHEMICAL COMPANY (US) 1984-05-29 US disclosed
US-4451409-A Sulfonium organosulfonates THE DOW CHEMICAL COMPANY (US) 1984-05-29 US disclosed