SCHEMBL7933708

SCHEMBL7933708

O=C1CCC(=O)N1C(C(=S)N(SCc1ccccc1)SCc1ccccc1)c1cccc(C(C(=S)N(SCc2ccccc2)SCc2ccccc2)N2C(=O)CCC2=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
PKM P14618 1/20 0.45
SLC1A2 P43004 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
LMNA P02545 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32

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
SCHEMBL7923865 0.69 ALDH1A1 (0.41) ALDH1A1PKMSLC1A2TRPV1CA1
SCHEMBL9632134 0.64 LMNA (0.53) ALDH1A1PKMSLC1A2TRPV1LMNA
SCHEMBL2304471 0.63 ALDH1A1 (1.00) ALDH1A1PKMSLC1A2LMNAHDAC3
SCHEMBL1563867 0.63 ALDH1A1 (1.00) ALDH1A1PKMSLC1A2LMNAHDAC3
SCHEMBL7923860 0.63 ALDH1A1 (0.42) ALDH1A1PKMLMNAKMT2AGAA
SCHEMBL7933681 0.62 ALDH1A1 (0.42) ALDH1A1PKMSLC1A2TRPV1CA1
SCHEMBL22207807 0.61 ALDH1A1 (0.46) ALDH1A1PKMSLC1A2TRPV1LMNA
SCHEMBL8728754 0.61 CYP2C19 (0.47) PKMCA12CA9LMNA
SCHEMBL6319092 0.60 LMNA (0.52) ALDH1A1PKMSLC1A2TRPV1LMNA
SCHEMBL19621059 0.60 ALDH1A1 (0.61) ALDH1A1PKMSLC1A2LMNAHDAC3

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
EP-0800551-B1 SULFUR-VULCANIZED RUBBER COMPOSITIONS COMPRISING SUBSTITUTED SUCCINIMIDE COMPOUNDS AKZO NOBEL NV (NL) 2001-06-13 EP claimed
US-5844049-A Sulfur-vulcanized rubber compositions comprising substituted succinimide compounds AKZO NOBEL NV (NL) 1998-12-01 US claimed
EP-0800551-A1 SULFUR-VULCANIZED RUBBER COMPOSITIONS COMPRISING SUBSTITUTED SUCCINIMIDE COMPOUNDS Akzo Nobel N.V. (NL) 1997-10-15 EP claimed
WO-1996020246-A1 SULFUR-VULCANIZED RUBBER COMPOSITIONS COMPRISING SUBSTITUTED SUCCINIMIDE COMPOUNDS AKZO NOBEL N.V. (NL) 1996-07-04 WO claimed
EP-0800551-B1 SULFUR-VULCANIZED RUBBER COMPOSITIONS COMPRISING SUBSTITUTED SUCCINIMIDE COMPOUNDS AKZO NOBEL NV (NL) 2001-06-13 EP disclosed
US-5844049-A Sulfur-vulcanized rubber compositions comprising substituted succinimide compounds AKZO NOBEL NV (NL) 1998-12-01 US disclosed
EP-0800551-A1 SULFUR-VULCANIZED RUBBER COMPOSITIONS COMPRISING SUBSTITUTED SUCCINIMIDE COMPOUNDS Akzo Nobel N.V. (NL) 1997-10-15 EP disclosed
WO-1996020246-A1 SULFUR-VULCANIZED RUBBER COMPOSITIONS COMPRISING SUBSTITUTED SUCCINIMIDE COMPOUNDS AKZO NOBEL N.V. (NL) 1996-07-04 WO disclosed