SCHEMBL5576286

SCHEMBL5576286

C=C(C)C(=O)Oc1ccc([S+](C)C)cc1.COS(=O)(=O)O

nearest known ligand 0.47

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.47
KMT2A Q03164 3/20 0.43
ATM Q13315 1/20 0.43
MAPT P10636 3/20 0.36
POLB P06746 2/20 0.36
PKM P14618 1/20 0.36
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 2/20 0.31
APEX1 P27695 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL5576290 0.90 ELANE (0.46) ELANEKMT2AATMMAPTPOLB
SCHEMBL9619081 0.89 MAPT (0.37) ELANEKMT2AMAPTPOLBPKM
SCHEMBL246655 0.89 ELANE (0.56) ELANEKMT2AATMMAPTPOLB
SCHEMBL30313539 0.87 ELANE (0.48) ELANEKMT2AATMMAPTPOLB
Trifluoromethanesulfonic Acid SCHEMBL31564995 0.82 ELANE (0.43) ELANEKMT2AATMMAPTPOLB
SCHEMBL9487566 0.81 THRB (0.45) ELANEKMT2AMAPTPOLBPKM
SCHEMBL9442120 0.80 PKM (0.39) ELANEKMT2AMAPTPOLBPKM
SCHEMBL9619082 0.78 MAPT (0.40) ELANEKMT2AMAPTPOLBPKM
Methylsulfanylmethane SCHEMBL27676791 0.78 ELANE (0.55) ELANEKMT2AATMMAPTPOLB
SCHEMBL56436 0.77 ELANE (0.69) ELANEKMT2AATMMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5070720-A None JP disclosed
JP-6228086-A None JP disclosed
US-7252883-B2 Coated particles SEKISUI CHEMICAL CO., LTD. (JP) 2007-08-07 US disclosed
US-20040109995-A1 Coated particles SEKISUI CHEMICAL CO., LTD. (JP) 2004-06-10 US disclosed
JP-H06228086-A MONOMER AND ITS POLYMER SANSHIN CHEM IND CO LTD 1994-08-16 JP disclosed
JP-H0570720-A ADDITIVE FOR COATING MATERIAL SANSHIN CHEM IND CO LTD 1993-03-23 JP disclosed