SCHEMBL4239327

SCHEMBL4239327

CCCCC(S)C(O)(O)S

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.36
ALDH1A1 P00352 3/20 0.36
DNM1 Q05193 2/20 0.35
CA2 P00918 6/20 0.33
MAPK1 P28482 1/20 0.33
CA1 P00915 3/20 0.32
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL10917780 0.91 LMNA (0.43) FDPSDNM1LMNACYP3A4
SCHEMBL9798310 0.84
SCHEMBL14742796 0.81 CA2 (0.35) FDPSALDH1A1DNM1CA2MAPK1
SCHEMBL14743096 0.79 DNM1 (0.38) FDPSALDH1A1DNM1CA2MAPK1
SCHEMBL14743604 0.75 FDPS (0.36) FDPSALDH1A1DNM1CA2MAPK1
SCHEMBL14742797 0.75 ALDH1A1 (0.41) FDPSALDH1A1DNM1CA2MAPK1
SCHEMBL1407498 0.73
SCHEMBL9077222 0.71 LMNA (0.43) FDPSDNM1CA2LMNA
SCHEMBL4894020 0.70 DNM1 (0.35) FDPSALDH1A1DNM1CA2MAPK1
SCHEMBL11776581 0.70 DNM1 (0.35) FDPSALDH1A1DNM1CA2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4992293-A Digestible fat substitutes in foods; side effect reduction NABISCO BRANDS, INC. (US) 1991-02-12 US claimed
US-20090155485-A1 Rapid curing wood putty based on frontal polymerization UNIVERSITY OF SOUTHERN MISSISSIPPI, THE 2009-06-18 US disclosed
EP-1023284-B1 ANTI-VIRAL PHARMACEUTICAL COMPOSITIONS CONTAINING SATURATED 1,2-DITHIAHETEROCYCLIC COMPOUNDS US GOV HEALTH & HUMAN SERV (US) 2005-11-23 EP disclosed
EP-1023284-A2 ANTI-VIRAL PHARMACEUTICAL COMPOSITIONS CONTAINING SATURATED 1,2-DITHIAHETEROCYCLIC COMPOUNDS AND USES THEREOF THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2000-08-02 EP disclosed
US-6046228-A INCLUDE 1,2-DITHIANE AND 1,2 DITHIOLANE COMPOUNDS, THE RING SULFUR ATOMS MAY BE PRESENT IN THE SULFUR OXIDE OR SULFONE STATE, USEFUL FOR INHIBITING RETROVIRUS REPLICATION THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2000-04-04 US disclosed
WO-1998001440-A9 ANTI-VIRAL PHARMACEUTICAL COMPOSITIONS CONTAINING SATURATED 1,2-DITHIAHETEROCYCLIC COMPOUNDS AND USES THEREOF 1998-07-16 WO disclosed
WO-1998001440-A2 ANTI-VIRAL PHARMACEUTICAL COMPOSITIONS CONTAINING SATURATED 1,2-DITHIAHETEROCYCLIC COMPOUNDS AND USES THEREOF THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1998-01-15 WO disclosed
US-4992293-A Digestible fat substitutes in foods; side effect reduction NABISCO BRANDS, INC. (US) 1991-02-12 US disclosed