SCHEMBL6901442

SCHEMBL6901442

CC(=O)N(C(C)=O)[C@@H](CCS)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 5/20 0.38
ENPEP Q07075 4/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
ANPEP P15144 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
NFKB1 P19838 1/20 0.33
PTGS2 P35354 1/20 0.33
THPO P40225 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GABRR1 P24046 2/20 0.32
CYP1A2 P05177 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
SCHEMBL6901441 1.00 FOLH1 (0.38) FOLH1ENPEPCHRM1CHRM3ANPEP
SCHEMBL9122150 0.82 KDM4E (0.40) FOLH1ENPEPKDM4EMAPTTHRB
SCHEMBL1054855 0.82 KDM4E (0.40) FOLH1ENPEPKDM4EMAPTTHRB
SCHEMBL1054858 0.82 KDM4E (0.40) FOLH1ENPEPKDM4EMAPTTHRB
SCHEMBL27390678 0.81 FOLH1 (0.36) FOLH1ENPEPCHRM1CHRM3ANPEP
SCHEMBL28327446 0.80 KDM4E (0.39) FOLH1ENPEPKDM4EMAPTTHRB
SCHEMBL28666295 0.78 CYP1A2 (0.52) FOLH1CYP1A2
SCHEMBL10523165 0.78 CYP1A2 (0.52) FOLH1CYP1A2
SCHEMBL7280578 0.77 FOLH1 (0.40) FOLH1ENPEPCHRM1CHRM3ANPEP
SCHEMBL28479862 0.76 KDM4E (0.39) FOLH1ENPEPCHRM1CHRM3CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004089329-A2 TOPICAL COMPOSITIONS COMPRISING N-ACETYLAMINO ACIDS OR RELATED N-ACETYL COMPOUNDS YU RUEY J (US) 2004-10-21 WO claimed
EP-1183538-A4 CYCLODEXTRIN POLYMERS FOR USE AS DRUG CARRIERS KOSAK KEN M (US) 2003-07-16 EP disclosed
EP-1183538-A1 CYCLODEXTRIN POLYMERS FOR USE AS DRUG CARRIERS KOSAK, Ken M. (US) 2002-03-06 EP disclosed
WO-2000040962-A1 CYCLODEXTRIN POLYMERS FOR USE AS DRUG CARRIERS KOSAK KEN M (US) 2000-07-13 WO disclosed
WO-1991005605-A1 CYCLODEXTRIN LABELS FOR IMMUNOASSAY AND BIOCHEMICAL ANALYSIS KOSAK KENNETH M (US) 1991-05-02 WO disclosed