SCHEMBL29529261

SCHEMBL29529261

Cc1cccc(OC(C[N+](C)(C)CC(Oc2cccc(C)c2C)S(=O)(=O)O)S(=O)(=O)O)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
MAPT P10636 3/20 0.36
GAA P10253 4/20 0.36
KDM4E B2RXH2 2/20 0.36
HTR1B P28222 1/20 0.35
RAB9A P51151 2/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CASP1 P29466 1/20 0.34
ALDH1A1 P00352 3/20 0.34
NPC1 O15118 1/20 0.34
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ESR1 P03372 1/20 0.33

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
SCHEMBL29287397 0.80 MAPT (0.36) POLBMAPTGAAHTR1BRAB9A
SCHEMBL4909462 0.72 MAPT (0.42) POLBMAPTGAAHTR1BRAB9A
Hydrogen Sulfide SCHEMBL3797182 0.70 MAPT (0.46) POLBMAPTGAAKDM4EHTR1B
SCHEMBL4120032 0.68 MAPT (0.47) POLBMAPTGAAKDM4EHTR1B
SCHEMBL9125923 0.67 HTR1B (0.49) MAPTGAAKDM4EHTR1BRAB9A
SCHEMBL516150 0.66 MAPT (0.44) POLBMAPTGAAKDM4EHTR1B
SCHEMBL21412593 0.65 POLB (0.45) POLBMAPTGAARAB9ALMNA
SCHEMBL5325948 0.65 MAPT (0.47) POLBMAPTGAAKDM4EHTR1B
SCHEMBL3720870 0.65 MAPT (0.47) POLBMAPTGAAKDM4EHTR1B
SCHEMBL16234636 0.64 TSHR (0.46) POLBMAPTKDM4ERAB9ALMNA

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-20250250516-A1 DETERGENT COMPOSITIONS HAVING IMPROVED OLFACTORY PROPERTIES CALYXIA (FR) 2025-08-07 US disclosed
US-20220119738-A1 DETERGENT COMPOSITIONS HAVING IMPROVED OLFACTORY PROPERTIES CALYXIA (FR) 2022-04-21 US disclosed