SCHEMBL8684166

SCHEMBL8684166

CS(=O)(=O)OCCCc1ccc(C(N)=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 5/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 2/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MMP9 P14780 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
PLA2G10 O15496 1/20 0.41
PLA2G2A P14555 1/20 0.41
CYP4A11 Q02928 2/20 0.41
CA2 P00918 2/20 0.40
CYP4F2 P78329 1/20 0.40
CA1 P00915 1/20 0.40
PARP1 P09874 1/20 0.40
PARP2 Q9UGN5 1/20 0.40

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
SCHEMBL9760390 0.95 PDE4A (0.47) PARP10LMNAKDM4EUSP2ALDH1A1
SCHEMBL9040138 0.86 RARB (0.53) LMNAKDM4EUSP2ALDH1A1MMP9
SCHEMBL3123864 0.83 CYP4A11 (0.62) ALDH1A1ALOX15CYP4A11CA2CYP4F2
SCHEMBL6333378 0.81 HPGD (0.51) LMNAALDH1A1CYP4A11CA2CYP4F2
SCHEMBL28065789 0.80 PDE4A (0.49) PARP10LMNAALDH1A1PDE4APDE4B
SCHEMBL3540841 0.80 ALDH1A1 (0.52) LMNAKDM4EUSP2ALDH1A1MMP9
SCHEMBL8567015 0.80 CA1 (0.46) LMNAKDM4EUSP2ALDH1A1MMP9
SCHEMBL8732251 0.79 CYP4A11 (0.63) LMNAKDM4EUSP2ALDH1A1MMP9
SCHEMBL18106011 0.79 CYP4A11 (0.56) ALDH1A1ALOX15CYP4A11CA2CYP4F2
SCHEMBL6284410 0.78 ALDH1A1 (0.50) LMNAKDM4EUSP2ALDH1A1MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5726208-A Heterocyclic tertiary amines ADIR ET COMPAGNIE (FR) 1998-03-10 US disclosed