SCHEMBL28014499

SCHEMBL28014499

O=C(CCS)OC(=O)CN1C(=O)CCC1=O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
RAB9A P51151 1/20 0.35
ALOX12 P18054 1/20 0.34
HPGD P15428 2/20 0.34
TSHR P16473 1/20 0.33
FGF2 P09038 1/20 0.33
HTT P42858 2/20 0.32
KDM4E B2RXH2 2/20 0.32
GFER P55789 2/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
G6PD P11413 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 2/20 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
SCHEMBL3254635 0.85 RAB9A (0.37) ALDH1A1LMNASMN1; SMN2RAB9AALOX12
SCHEMBL25408333 0.75 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2HPGDFGF2HTT
SCHEMBL4671579 0.74 ALDH1A1 (0.39) ALDH1A1LMNASMN1; SMN2RAB9AALOX12
SCHEMBL7712869 0.73 ALDH1A1 (0.50) ALDH1A1TSHRHSD17B10
SCHEMBL7796008 0.72 RAB9A (0.41) ALDH1A1LMNASMN1; SMN2RAB9AALOX12
SCHEMBL2454641 0.72 PSMB8 (0.33) LMNA
SCHEMBL2754581 0.71 ALDH1A1 (0.49) ALDH1A1LMNASMN1; SMN2RAB9AALOX12
SCHEMBL668458 0.71 RAB9A (0.40) ALDH1A1LMNASMN1; SMN2RAB9AALOX12
SCHEMBL2002948 0.71 ALDH1A1 (0.42) ALDH1A1LMNASMN1; SMN2RAB9AALOX12
Ammonia Solution, Strong SCHEMBL28120022 0.71 ALDH1A1 (0.48) ALDH1A1TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102089662-B High capacity solid phase RADIOMETER MEDICAL APS 2015-05-27 CN claimed
CN-102089662-B High capacity solid phase RADIOMETER MEDICAL APS 2015-05-27 CN disclosed