SCHEMBL8859577

SCHEMBL8859577

O=[C]CSC(=O)CN1C(=O)CCC1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 5/20 0.35
ALOX12 P18054 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
TSHR P16473 3/20 0.34
LMNA P02545 2/20 0.33
HPGD P15428 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CDK2 P24941 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GAA P10253 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GFER P55789 1/20 0.31
POLB P06746 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
SCHEMBL121100 0.76 TSHR (0.40) RAB9ASMN1; SMN2ALDH1A1ALOX12TSHR
SCHEMBL5088057 0.74 TSHR (0.37) RAB9ASMN1; SMN2ALDH1A1ALOX12TSHR
SCHEMBL43850 0.73 SMN1; SMN2 (0.38) RAB9ASMN1; SMN2ALDH1A1ALOX12TSHR
SCHEMBL6317802 0.72 RAB9A (0.37) RAB9ASMN1; SMN2ALDH1A1ALOX12CHRM2
SCHEMBL21049710 0.72 RAB9A (0.37) RAB9ASMN1; SMN2ALDH1A1ALOX12CHRM2
SCHEMBL43959 0.69 TSHR (0.39) RAB9ASMN1; SMN2ALDH1A1ALOX12TSHR
Hydrochloric Acid SCHEMBL17595174 0.68 TSHR (0.38) RAB9ASMN1; SMN2ALDH1A1ALOX12TSHR
SCHEMBL4381249 0.68 TSHR (0.38) RAB9ASMN1; SMN2ALDH1A1ALOX12TSHR
SCHEMBL2389010 0.67 ALDH1A1 (0.33) RAB9ASMN1; SMN2ALDH1A1ALOX12TSHR
Hydroxyamine SCHEMBL3213770 0.67 TSHR (0.37) RAB9ASMN1; SMN2ALDH1A1ALOX12TSHR

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
US-5646256-A DEACETYLATION; DEBLOCKING WITH CARBOXYMETHOXYLAMINE; STABILIZATION BECTON, DICKINSON AND COMPANY (US) 1997-07-08 US disclosed