SCHEMBL20530446

SCHEMBL20530446

CCC[C@@H](O)[C@@H](C=O)CC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
TSHR P16473 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAPDH P04406 2/20 0.33
TRPA1 O75762 1/20 0.32
DDAH1 O94760 1/20 0.32
MAPT P10636 1/20 0.32
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP3A4 P08684 2/20 0.31

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
SCHEMBL730338 1.00 LMNA (0.43) LMNATSHRSMN1; SMN2GAPDHTRPA1
Water SCHEMBL6553209 0.98 LMNA (0.41) LMNATSHRSMN1; SMN2GAPDHTRPA1
SCHEMBL27924161 0.98 LMNA (0.41) LMNATSHRSMN1; SMN2GAPDHTRPA1
Butanal SCHEMBL6477363 0.90 ALDH1A1 (0.46) LMNATSHRSMN1; SMN2
Butanal SCHEMBL17181558 0.90 ALDH1A1 (0.46) LMNATSHRSMN1; SMN2
SCHEMBL9254171 0.86 TSHR (0.50) LMNATSHRSMN1; SMN2GAPDHTRPA1
SCHEMBL28159286 0.84 LMNA (0.46) LMNATSHRSMN1; SMN2GAPDHTRPA1
SCHEMBL24053312 0.83 SPHK1 (0.48) LMNATSHRSMN1; SMN2GAPDHTRPA1
SCHEMBL17184325 0.82 LMNA (0.32) LMNA
SCHEMBL17184324 0.82 LMNA (0.32) LMNA

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 6 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
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-3610011-A1 FRUCTOSE-6-PHOSPHATE ALDOLASE VARIANTS FOR ALDOL CARBOLIGATIONS Consejo Superior de Investigaciones Cientificas (CSIC) (ES) 2020-02-19 EP disclosed
WO-2018189026-A1 FRUCTOSE-6-PHOSPHATE ALDOLASE VARIANTS FOR ALDOL CARBOLIGATIONS CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (CSIC) (ES) 2018-10-18 WO disclosed
EP-3388518-A1 FRUCTOSE-6-PHOSPHATE ALDOLASE VARIANTS FOR ALDOL CARBOLIGATIONS Consejo Superior de Investigaciones Cientificas (CSIC) (ES) 2018-10-17 EP disclosed