SCHEMBL5069902

SCHEMBL5069902

CCC(CC)(C(=O)O)C(=CNc1cccc(C)n1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ RAB9A P51151 8/20 0.43
▸ GAA P10253 1/20 0.41
▸ NPC1 O15118 7/20 0.41
▸ GBA1 P04062 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ GRM5 P41594 3/20 0.40
▸ SORT1 Q99523 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL4581966 0.74 KMT2A (0.57) KMT2AMEN1RAB9ANPC1GBA1
SCHEMBL11562497 0.73 MEN1 (0.87) KMT2AMEN1RAB9AGAANPC1
SCHEMBL1023541 0.70 MEN1 (1.00) KMT2AMEN1RAB9AGAAKDM4E
SCHEMBL1023543 0.68 KMT2A (0.62) KMT2AMEN1RAB9AGAANPC1
SCHEMBL5757855 0.66 MEN1 (0.50) KMT2AMEN1RAB9ANPC1GBA1
SCHEMBL5757860 0.66 MEN1 (0.50) KMT2AMEN1RAB9ANPC1GBA1
SCHEMBL3750334 0.66 MEN1 (0.40) KMT2AMEN1RAB9AGAANPC1
SCHEMBL9588376 0.65 KMT2A (0.52) KMT2AMEN1RAB9AGAANPC1
SCHEMBL31725239 0.65 RAB9A (0.78) KMT2AMEN1RAB9ANPC1GBA1
SCHEMBL3119185 0.65 RAB9A (0.78) KMT2AMEN1RAB9ANPC1GBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7423167-B2 Ethylenically unsaturated amine salts of sulfonic, phosphoric and carboxylic acids STEPAN COMPANY (US) 2008-09-09 — — US disclosed
US-20050131080-A1 Ethylenically unsaturated amine salts of sulfonic, phosphoric and carboxylic acids STEPAN COMPANY, A CORPORATION OF THE STATE OF DELAWARE 2005-06-16 — — US disclosed
US-6900265-B2 Antimicrobial polymer latexes derived from unsaturated quaternary ammonium compounds and antimicrobial coatings, sealants, adhesives and elastomers produced from such latexes STEPAN COMPANY (US) 2005-05-31 — — US disclosed
US-20040092632-A1 Antimicrobial polymer latexes derived from unsaturated quaternary ammonium compounds and antimicrobial coatings, sealants, adhesives and elastomers produced from such latexes STEPAN COMPANY 2004-05-13 — — US disclosed
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