SCHEMBL20765129

SCHEMBL20765129

NC(CCS(=O)(=O)O)(CC(=O)O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 7/20 0.40
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
THRB P10828 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP2C19 P33261 2/20 0.34
LMNA P02545 1/20 0.34
SLC6A6 P31641 1/20 0.34
BLM P54132 1/20 0.34
ODC1 P11926 1/20 0.33
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
HIF1A Q16665 1/20 0.32
APP P05067 1/20 0.32
ARG2 P78540 5/20 0.31
PTGS1 P23219 1/20 0.30
PDE4A P27815 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
SCHEMBL20765128 1.00 ARG1 (0.40) ARG1ALDH1A1MEN1CYP1A2THRB
SCHEMBL20764738 0.82 MEN1 (0.55) ARG1ALDH1A1MEN1CYP1A2THRB
SCHEMBL20764740 0.82 MEN1 (0.55) ARG1ALDH1A1MEN1CYP1A2THRB
SCHEMBL2910123 0.79 ALDH1A1 (0.36) ARG1ALDH1A1MEN1CYP1A2THRB
SCHEMBL2910118 0.79 ALDH1A1 (0.36) ARG1ALDH1A1MEN1CYP1A2THRB
SCHEMBL509976 0.75 ALDH1A1 (0.48) ARG1ALDH1A1MEN1CYP1A2THRB
SCHEMBL27459648 0.74 ALDH1A1 (0.65) ARG1ALDH1A1MEN1CYP1A2THRB
SCHEMBL5949968 0.71 ODC1 (0.64) ARG1ALDH1A1MEN1CYP1A2THRB
SCHEMBL24066748 0.69 MEN1 (0.48) ARG1ALDH1A1MEN1CYP1A2THRB
SCHEMBL28623644 0.69 PTGS1 (0.38) ALDH1A1CYP2C19LMNASLC6A6BLM

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
EP-3673056-A1 DETERGENT COMPOSITIONS COMPRISING GH9 ENDOGLUCANASE VARIANTS II Henkel AG & Co. KGaA (DE) 2020-07-01 EP disclosed
WO-2019038059-A1 DETERGENT COMPOSITIONS COMPRISING GH9 ENDOGLUCANASE VARIANTS II HENKEL AG & CO. KGAA (DE) 2019-02-28 WO disclosed