SCHEMBL29952986

SCHEMBL29952986

O=CCCOCc1cccs1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
ALDH1A1 P00352 3/20 0.41
GAA P10253 1/20 0.41
POLB P06746 2/20 0.40
TSHR P16473 2/20 0.40
TAAR1 Q96RJ0 1/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CYP2C19 P33261 1/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
SLC6A3 Q01959 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL9411218 0.84 TAAR1 (0.46) SLC1A3SLC1A2SLC1A1ALDH1A1POLB
SCHEMBL29950630 0.81 SLC1A3 (0.46) SLC1A3SLC1A2SLC1A1ALDH1A1GAA
SCHEMBL8905908 0.81 SLC1A3 (0.42) SLC1A3SLC1A2SLC1A1ALDH1A1GAA
SCHEMBL6733610 0.80 TAAR1 (0.50) SLC1A3SLC1A2SLC1A1ALDH1A1GAA
SCHEMBL8905219 0.78 SLC1A3 (0.44) SLC1A3SLC1A2SLC1A1ALDH1A1GAA
SCHEMBL29565967 0.77 TAAR1 (0.39) SLC1A3SLC1A2SLC1A1ALDH1A1GAA
SCHEMBL8055385 0.77 ALDH1A1 (0.43) SLC1A3SLC1A2SLC1A1ALDH1A1GAA
SCHEMBL7444567 0.77 MAPK1 (0.46) SLC1A3SLC1A2SLC1A1ALDH1A1GAA
SCHEMBL8906376 0.76 TAAR1 (0.41) SLC1A3SLC1A2SLC1A1ALDH1A1GAA
SCHEMBL15700931 0.76 SMN1; SMN2 (0.42) SLC1A3SLC1A2SLC1A1ALDH1A1GAA

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed