SCHEMBL11049593

SCHEMBL11049593

COc1ccc(S(OS(C)(=O)=O)(c2ccc(Oc3ccccc3)cc2)c2ccc(Oc3ccccc3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.58
PGR P06401 7/20 0.57
HTT P42858 2/20 0.50
LMNA P02545 2/20 0.50
SOS1 Q07889 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NR3C1 P04150 1/20 0.50
PKM P14618 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP12 P39900 1/20 0.47
MMP13 P45452 1/20 0.47
MMP14 P50281 1/20 0.47
MMP16 P51512 1/20 0.47
PTGES O14684 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CA4 P22748 1/20 0.45
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45

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) LTA4HPGRHTTLMNASOS1
SCHEMBL15063438 0.92 PKM (0.52) PGRHTTLMNASMN1; SMN2PKM
SCHEMBL11052595 0.92 SOS1 (0.55) LTA4HPGRHTTLMNASOS1
SCHEMBL7575951 0.88 PKM (0.59) HTTLMNAPKMMMP2MMP9
SCHEMBL11052855 0.87 HTT (0.68) PGRHTTLMNASOS1SMN1; SMN2
SCHEMBL10672859 0.81 HTT (0.73) LTA4HPGRHTTLMNASOS1
SCHEMBL11051262 0.81 LTA4H (0.64) LTA4HHTTLMNASMN1; SMN2
SCHEMBL207124 0.78 HTR6 (0.46) LMNASMN1; SMN2MMP2MMP9MMP8
SCHEMBL450431 0.78 HTT (0.53) PGRHTTLMNASMN1; SMN2PKM
SCHEMBL2964762 0.78 HTT (0.53) PGRHTTLMNASMN1; SMN2PKM

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