SCHEMBL20530482

SCHEMBL20530482

CC(=O)CC(O)CNC(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HTT P42858 1/20 0.50
SYK P43405 1/20 0.49
CTSS P25774 5/20 0.48
CTSL P07711 4/20 0.48
CTSK P43235 4/20 0.48
CTSB P07858 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MAPT P10636 1/20 0.46
SLC1A3 P43003 1/20 0.45
SLC1A1 P43005 1/20 0.45

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
SCHEMBL5708342 0.88 HTT (0.56) ALDH1A1LMNASMN1; SMN2HTTSYK
SCHEMBL222634 0.88 HTT (0.56) ALDH1A1LMNASMN1; SMN2HTTSYK
SCHEMBL5019087 0.88 LMNA (0.61) ALDH1A1LMNASMN1; SMN2HTTSYK
SCHEMBL30642172 0.87 LMNA (0.51) ALDH1A1LMNASMN1; SMN2HTTSYK
SCHEMBL223222 0.87 LMNA (0.54) ALDH1A1LMNASMN1; SMN2HTTSYK
SCHEMBL20530485 0.86 SYK (0.50) ALDH1A1LMNASMN1; SMN2HTTSYK
SCHEMBL20530450 0.86 LMNA (0.57) ALDH1A1LMNASMN1; SMN2HTTL3MBTL1
SCHEMBL19615746 0.86 LMNA (0.52) ALDH1A1LMNASMN1; SMN2HTTSYK
SCHEMBL19615744 0.86 LMNA (0.52) ALDH1A1LMNASMN1; SMN2HTTSYK
SCHEMBL5218083 0.85 SYK (0.57) ALDH1A1LMNASMN1; SMN2HTTSYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200165640-A1 FRUCTOSE-6-PHOSPHATE ALDOLASE VARIANTS FOR ALDOL CARBOLIGATIONS SUSTAINABLE MOMENTUM, S.L. (ES) 2020-05-28 US disclosed
CN-110945122-A Fructose-6-phosphate aldolase variants for aldol condensation carbon linking 西班牙高等科研理事会 2020-03-31 CN disclosed
EP-3388518-A1 FRUCTOSE-6-PHOSPHATE ALDOLASE VARIANTS FOR ALDOL CARBOLIGATIONS Consejo Superior de Investigaciones Cientificas (CSIC) (ES) 2018-10-17 EP disclosed