SCHEMBL7183003

SCHEMBL7183003

Cc1ccc(C(=O)Oc2ccc(S(=O)(=O)O)cc2)cc1.[NaH]

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACR P10323 6/20 0.65
PRSS1 P07477 5/20 0.65
KMT2A Q03164 7/20 0.51
MEN1 O00255 2/20 0.51
MAPT P10636 2/20 0.51
KDM4E B2RXH2 1/20 0.51
HSP90AA1 P07900 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
PLG P00747 1/20 0.47
GAA P10253 1/20 0.47
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GBA1 P04062 1/20 0.46

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
Trimethylammonium SCHEMBL9550812 0.94 PRSS1 (0.62) ACRPRSS1KMT2AMEN1MAPT
SCHEMBL29210105 0.94 ACR (0.62) ACRPRSS1KMT2AMEN1MAPT
SCHEMBL25491843 0.87 MAPT (0.58) ACRPRSS1KMT2AMEN1MAPT
SCHEMBL9726291 0.85 ACR (0.61) ACRPRSS1KMT2AMAPTKDM4E
SCHEMBL9726260 0.84 STS (0.57) ACRPRSS1KMT2AMEN1MAPT
SCHEMBL9663961 0.84 PRSS1 (0.69) ACRPRSS1KMT2AMEN1SMN1; SMN2
SCHEMBL2741098 0.84 PRSS1 (0.69) ACRPRSS1KMT2AMEN1SMN1; SMN2
SCHEMBL8929987 0.84 PRSS1 (0.69) ACRPRSS1KMT2AMEN1SMN1; SMN2
SCHEMBL1101878 0.84 PRSS1 (0.69) ACRPRSS1KMT2AMEN1SMN1; SMN2
SCHEMBL8930157 0.84 PRSS1 (0.69) ACRPRSS1KMT2AMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1083167-B1 Process for the preparation of aryl carboxylate esters EASTMAN CHEM CO (US) 2003-04-16 EP disclosed
US-6448430-B1 BY REACTION OF A PHENOL WITH A CARBOXYLIC ACID IN THE PRESENCE OF TRIFLUOROACETIC ACID (TFA) AND TRIFLUOROACETIC ANHYDRIDE (TFAA); RELATIVELY LOW TEMPERATURE EASTMAN CHEMICAL COMPANY 2002-09-10 US disclosed
EP-1083167-A1 Process for the preparation of aryl carboxylate esters EASTMAN CHEMICAL COMPANY (US) 2001-03-14 EP disclosed