SCHEMBL7515512

SCHEMBL7515512

C[S+]([O-])c1ccc(-c2ccc(Oc3ccccc3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.47
TSHR P16473 1/20 0.46
GSTP1 P09211 1/20 0.44
NR1H2 P55055 1/20 0.42
BAX Q07812 1/20 0.42
MAOA P21397 1/20 0.42
NPC1 O15118 3/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.41
ACACB O00763 1/20 0.41
ACACA Q13085 1/20 0.41
SOS1 Q07889 1/20 0.40
RAB9A P51151 2/20 0.40
SCN4A P35499 1/20 0.40
ADAMTS4 O75173 1/20 0.39
PTGS2 P35354 1/20 0.39
BCL2L1 Q07817 1/20 0.39
MCL1 Q07820 1/20 0.39
TLR8 Q9NR97 1/20 0.39

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
SCHEMBL20710436 0.94 LTA4H (0.52) LTA4HTSHRGSTP1NR1H2BAX
SCHEMBL17907419 0.85 ALDH1A1 (0.38) LTA4HTSHRNPC1HTTSMN1; SMN2
SCHEMBL19114099 0.83 ALDH1A1 (0.45) SMN1; SMN2BCL2L1
SCHEMBL12445057 0.83 ALDH1A1 (0.45) SMN1; SMN2BCL2L1
Diphenylether SCHEMBL4188889 0.79 LTA4H (0.67) LTA4HTSHRGSTP1NR1H2BAX
SCHEMBL17907429 0.78
SCHEMBL6406035 0.78 LTA4H (0.75) LTA4HTSHRGSTP1NR1H2BAX
SCHEMBL2860844 0.78 LTA4H (0.75) LTA4HTSHRGSTP1NR1H2BAX
SCHEMBL197414 0.78 LTA4H (0.75) LTA4HTSHRGSTP1NR1H2BAX
SCHEMBL16841481 0.78 TEAD4 (0.50) TSHRNPC1HTTSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165501-A1 ALKENYL- AND ALKYNYL-CONTAINING METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2002-01-02 EP disclosed
US-6197770-B1 ENZYME INHIBITORS; ANTIARTHRITIC AGENTS; BONE DISORDERS THE PROCTER & GAMBLE CO. 2001-03-06 US disclosed
WO-2000051975-A1 ALKENYL- AND ALKYNYL-CONTAINING METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2000-09-08 WO disclosed