SCHEMBL10337176

SCHEMBL10337176

C=C(C)C(=O)NCCC[N+](C)(C)CC(O)CO

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.35
PSMD14 O00487 1/20 0.35
PLA2G1B P04054 1/20 0.35
HSP90AA1 P07900 1/20 0.35
MMP2 P08253 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
CBLB Q13191 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
Hydrochloric Acid SCHEMBL10337213 0.99 TGFBR1 (0.34) TGFBR1PSMD14PLA2G1BHSP90AA1MMP2
Sulfuric Acid SCHEMBL9490561 0.93 TGFBR1 (0.34) TGFBR1PSMD14PLA2G1BHSP90AA1MMP2
SCHEMBL12985168 0.90 SLC22A16 (0.36) PSMD14PLA2G1BHSP90AA1MMP2ATG4B
Hydrochloric Acid SCHEMBL4369333 0.88 MAPT (0.35) PSMD14PLA2G1BHSP90AA1MMP2ATG4B
SCHEMBL7559782 0.86 KMT2A (0.35) TGFBR1KMT2AATMCBLB
SCHEMBL16229823 0.85 CBLB (0.33) PSMD14PLA2G1BHSP90AA1MMP2ATG4B
SCHEMBL23565477 0.83 KMT2A (0.31) KMT2AATM
SCHEMBL6979509 0.83 KMT2A (0.31) KMT2AATM
SCHEMBL21716177 0.83 TSHR (0.41) KMT2AATM
SCHEMBL14443964 0.83 SLC22A16 (0.32) KMT2AATM

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
EP-0232965-B1 PREPARATION OF VICINAL DIOL CONTAINING MONOMERS AND POLYMERS, AND SUBTERRANEAN USE THEREOF HALLIBURTON COMPANY (US) 1990-10-17 EP claimed